REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2eha_1_A DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVTcDEQSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLAVPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SSEHSKVQcE EYcVQGDEcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLARDQI NAVTSFLDAS LVYGSEPSLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYPPFN NVKPSPcEFI NTTAHVPcFQ DATA SEQUENCE AGDSRASEQI LLATVHTLLL REHNRLAREL KRLNPHWDGE MLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKNSKLMNQN KMVTSELRNK LFQPTHKVHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQAV LKNKVLAKKL LDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS AVDKLDLSPW ASREN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.638 174.600 0.063 0.000 1.055 1 S CA 0.000 58.308 58.200 0.180 0.000 1.107 1 S CB 0.000 63.377 63.200 0.294 0.000 0.593 2 W N 0.853 122.174 121.300 0.036 0.000 2.484 2 W HA 0.357 4.599 4.660 -0.695 0.000 0.320 2 W C 1.069 177.613 176.519 0.041 0.000 1.159 2 W CA 0.763 58.129 57.345 0.034 0.000 1.352 2 W CB -0.187 29.295 29.460 0.037 0.000 1.185 2 W HN 0.720 nan 8.180 nan 0.000 0.470 3 E N 0.504 120.885 120.200 0.303 0.000 2.294 3 E HA 0.142 4.074 4.350 -0.698 0.000 0.272 3 E C 0.624 177.315 176.600 0.151 0.000 0.896 3 E CA -0.048 56.461 56.400 0.182 0.000 0.802 3 E CB 2.721 32.523 29.700 0.171 0.000 1.267 3 E HN -0.055 nan 8.360 nan 0.000 0.406 4 V N 1.699 121.683 119.914 0.116 0.000 2.490 4 V HA 0.044 3.745 4.120 -0.698 0.000 0.250 4 V C 1.104 177.250 176.094 0.087 0.000 1.061 4 V CA 1.668 64.027 62.300 0.099 0.000 1.064 4 V CB -0.301 31.570 31.823 0.079 0.000 0.670 4 V HN 0.569 nan 8.190 nan 0.000 0.461 5 G N -1.215 107.633 108.800 0.080 0.000 4.912 5 G HA2 0.387 3.928 3.960 -0.698 0.000 0.307 5 G HA3 0.387 3.928 3.960 -0.698 0.000 0.307 5 G C -0.186 174.753 174.900 0.065 0.000 1.381 5 G CA -0.029 45.112 45.100 0.068 0.000 1.057 5 G HN 0.352 nan 8.290 nan 0.000 0.593 6 c N -0.215 118.430 118.600 0.075 0.000 2.411 6 c HA 0.933 5.084 4.570 -0.698 0.000 0.358 6 c C 1.078 175.189 174.090 0.035 0.000 1.349 6 c CA 1.195 57.563 56.329 0.064 0.000 2.326 6 c CB 0.629 43.193 42.510 0.090 0.000 2.166 6 c HN 1.254 nan 8.230 nan 0.000 0.609 7 G N -0.033 108.769 108.800 0.003 0.000 2.841 7 G HA2 0.472 4.014 3.960 -0.698 0.000 0.684 7 G HA3 0.472 4.014 3.960 -0.698 0.000 0.684 7 G C -0.900 173.981 174.900 -0.033 0.000 1.273 7 G CA -0.056 45.033 45.100 -0.017 0.000 0.811 7 G HN 1.513 nan 8.290 nan 0.000 0.631 8 A N 3.427 126.213 122.820 -0.057 0.000 2.923 8 A HA 0.805 4.707 4.320 -0.698 0.000 0.343 8 A C -1.110 176.444 177.584 -0.050 0.000 1.199 8 A CA -0.835 51.166 52.037 -0.061 0.000 0.878 8 A CB 0.201 19.143 19.000 -0.096 0.000 1.104 8 A HN 0.614 nan 8.150 nan 0.000 0.483 9 P HA 0.314 nan 4.420 nan 0.000 0.318 9 P C -0.298 176.994 177.300 -0.012 0.000 1.309 9 P CA -0.474 62.618 63.100 -0.013 0.000 0.736 9 P CB 0.491 32.195 31.700 0.006 0.000 1.440 10 V N 1.848 121.762 119.914 0.000 0.000 2.322 10 V HA 0.176 3.877 4.120 -0.698 0.000 0.258 10 V C -1.943 174.154 176.094 0.006 0.000 1.074 10 V CA -1.184 61.117 62.300 0.002 0.000 0.909 10 V CB -0.315 31.515 31.823 0.011 0.000 1.090 10 V HN 0.522 nan 8.190 nan 0.000 0.486 11 P HA 0.168 nan 4.420 nan 0.000 0.270 11 P C -0.356 176.949 177.300 0.009 0.000 1.221 11 P CA -0.225 62.878 63.100 0.004 0.000 0.788 11 P CB 0.189 31.888 31.700 -0.002 0.000 0.904 12 L N -1.429 119.801 121.223 0.012 0.000 3.291 12 L HA -0.154 3.767 4.340 -0.698 0.000 0.659 12 L C -0.852 176.028 176.870 0.017 0.000 1.042 12 L CA 0.285 55.133 54.840 0.014 0.000 1.256 12 L CB -2.097 39.967 42.059 0.010 0.000 1.596 12 L HN 0.049 nan 8.230 nan 0.000 0.819 13 V N 1.306 121.233 119.914 0.022 0.000 2.614 13 V HA 0.541 4.242 4.120 -0.698 0.000 0.281 13 V C 0.350 176.461 176.094 0.028 0.000 1.031 13 V CA 0.103 62.418 62.300 0.025 0.000 0.899 13 V CB 1.996 33.837 31.823 0.030 0.000 1.037 13 V HN 0.632 nan 8.190 nan 0.000 0.456 14 T N 0.192 114.761 114.554 0.025 0.000 2.829 14 T HA 0.461 4.392 4.350 -0.698 0.000 0.282 14 T C 0.128 174.844 174.700 0.028 0.000 0.990 14 T CA -0.575 61.541 62.100 0.027 0.000 1.028 14 T CB 1.150 70.032 68.868 0.023 0.000 0.951 14 T HN 0.580 nan 8.240 nan 0.000 0.460 15 c N 3.276 121.896 118.600 0.032 0.000 2.633 15 c HA 0.086 4.237 4.570 -0.698 0.000 0.415 15 c C 1.848 175.954 174.090 0.027 0.000 1.393 15 c CA -0.366 55.983 56.329 0.034 0.000 1.700 15 c CB -1.049 41.487 42.510 0.043 0.000 2.541 15 c HN 0.951 nan 8.230 nan 0.000 0.603 16 D N 0.830 121.245 120.400 0.025 0.000 2.378 16 D HA -0.080 4.141 4.640 -0.698 0.000 0.227 16 D C 1.466 177.773 176.300 0.012 0.000 1.012 16 D CA 0.670 54.680 54.000 0.016 0.000 0.905 16 D CB 0.035 40.844 40.800 0.014 0.000 0.895 16 D HN 0.823 nan 8.370 nan 0.000 0.532 17 E N -0.255 119.958 120.200 0.021 0.000 3.049 17 E HA -0.262 3.670 4.350 -0.698 0.000 0.272 17 E C 0.263 176.863 176.600 -0.000 0.000 1.051 17 E CA 1.128 57.538 56.400 0.017 0.000 0.813 17 E CB -0.549 29.160 29.700 0.014 0.000 1.409 17 E HN 0.361 nan 8.360 nan 0.000 0.454 18 Q N -1.983 117.811 119.800 -0.011 0.000 1.600 18 Q HA 0.057 3.978 4.340 -0.698 0.000 0.152 18 Q C -0.439 175.520 176.000 -0.068 0.000 0.762 18 Q CA 0.613 56.391 55.803 -0.040 0.000 0.746 18 Q CB 0.145 28.859 28.738 -0.041 0.000 1.202 18 Q HN 0.153 nan 8.270 nan 0.000 0.357 19 S N 3.086 118.756 115.700 -0.051 0.000 2.505 19 S HA 0.310 4.361 4.470 -0.698 0.000 0.276 19 S C -1.859 172.659 174.600 -0.136 0.000 1.274 19 S CA -0.862 57.270 58.200 -0.113 0.000 1.053 19 S CB 0.762 63.933 63.200 -0.050 0.000 0.919 19 S HN -0.062 nan 8.310 nan 0.000 0.490 20 P HA 0.171 nan 4.420 nan 0.000 0.269 20 P C -1.142 176.042 177.300 -0.193 0.000 1.461 20 P CA 0.369 63.273 63.100 -0.327 0.000 0.809 20 P CB -0.572 30.830 31.700 -0.497 0.000 1.503 21 Y N -0.474 119.881 120.300 0.092 0.000 2.477 21 Y HA 0.427 4.559 4.550 -0.698 0.000 0.347 21 Y C 1.018 176.691 175.900 -0.378 0.000 0.981 21 Y CA -1.688 56.353 58.100 -0.100 0.000 1.033 21 Y CB 1.978 40.375 38.460 -0.104 0.000 1.245 21 Y HN -0.299 nan 8.280 nan 0.000 0.455 22 R N 0.616 120.804 120.500 -0.519 0.000 2.694 22 R HA 0.226 4.147 4.340 -0.698 0.000 0.268 22 R C 0.018 176.140 176.300 -0.297 0.000 1.061 22 R CA -0.349 55.314 56.100 -0.729 0.000 1.133 22 R CB 0.187 30.093 30.300 -0.656 0.000 1.020 22 R HN 0.644 nan 8.270 nan 0.000 0.475 23 T N -1.157 113.266 114.554 -0.219 0.000 2.882 23 T HA 0.156 4.087 4.350 -0.698 0.000 0.287 23 T C 1.312 175.986 174.700 -0.043 0.000 1.014 23 T CA -0.740 61.313 62.100 -0.078 0.000 1.049 23 T CB 0.705 69.555 68.868 -0.031 0.000 1.001 23 T HN 0.395 nan 8.240 nan 0.000 0.525 24 I N 1.926 122.501 120.570 0.008 0.000 2.493 24 I HA -0.074 3.677 4.170 -0.698 0.000 0.254 24 I C 2.705 178.862 176.117 0.067 0.000 1.160 24 I CA 1.691 63.018 61.300 0.045 0.000 1.445 24 I CB -0.439 37.605 38.000 0.073 0.000 1.086 24 I HN 1.014 nan 8.210 nan 0.000 0.433 25 T N -3.213 111.378 114.554 0.061 0.000 3.086 25 T HA 0.363 4.295 4.350 -0.698 0.000 0.250 25 T C 1.579 176.351 174.700 0.120 0.000 1.074 25 T CA 0.357 62.506 62.100 0.082 0.000 0.988 25 T CB 0.163 69.069 68.868 0.064 0.000 0.988 25 T HN 0.445 nan 8.240 nan 0.000 0.530 26 G N 1.147 110.020 108.800 0.122 0.000 2.176 26 G HA2 -0.217 3.325 3.960 -0.698 0.000 0.253 26 G HA3 -0.217 3.325 3.960 -0.698 0.000 0.253 26 G C -0.150 174.866 174.900 0.193 0.000 0.979 26 G CA 0.082 45.319 45.100 0.228 0.000 0.641 26 G HN 0.597 nan 8.290 nan 0.000 0.530 27 D N -0.669 119.798 120.400 0.111 0.000 2.363 27 D HA 0.327 4.549 4.640 -0.698 0.000 0.240 27 D C 1.554 177.892 176.300 0.065 0.000 1.236 27 D CA 0.924 54.984 54.000 0.100 0.000 0.927 27 D CB 0.772 41.615 40.800 0.071 0.000 1.150 27 D HN 0.685 nan 8.370 nan 0.000 0.458 28 c N 0.700 119.349 118.600 0.083 0.000 4.326 28 c HA -0.160 3.992 4.570 -0.698 0.000 0.284 28 c C 1.916 176.059 174.090 0.088 0.000 1.419 28 c CA 0.111 56.486 56.329 0.077 0.000 1.920 28 c CB -2.657 39.885 42.510 0.053 0.000 1.306 28 c HN 0.722 nan 8.230 nan 0.000 0.786 29 N N 1.643 120.388 118.700 0.076 0.000 2.148 29 N HA -0.083 4.239 4.740 -0.698 0.000 0.186 29 N C 0.505 176.115 175.510 0.167 0.000 1.031 29 N CA 1.155 54.235 53.050 0.050 0.000 0.848 29 N CB -0.086 38.258 38.487 -0.239 0.000 1.005 29 N HN 0.784 nan 8.380 nan 0.000 0.427 30 N N 1.087 119.924 118.700 0.228 0.000 2.419 30 N HA 0.081 4.403 4.740 -0.698 0.000 0.264 30 N C 0.697 176.318 175.510 0.186 0.000 1.031 30 N CA -0.088 53.123 53.050 0.268 0.000 0.951 30 N CB 0.930 39.583 38.487 0.277 0.000 1.101 30 N HN 0.172 nan 8.380 nan 0.000 0.488 31 R N 2.694 123.298 120.500 0.172 0.000 2.062 31 R HA -0.021 3.901 4.340 -0.698 0.000 0.229 31 R C 1.992 178.352 176.300 0.100 0.000 1.128 31 R CA 0.997 57.168 56.100 0.119 0.000 0.960 31 R CB 0.003 30.365 30.300 0.103 0.000 0.855 31 R HN 0.564 nan 8.270 nan 0.000 0.432 32 R N 0.152 120.713 120.500 0.102 0.000 2.081 32 R HA -0.039 3.883 4.340 -0.698 0.000 0.235 32 R C 0.254 176.603 176.300 0.081 0.000 1.131 32 R CA 1.294 57.441 56.100 0.079 0.000 0.960 32 R CB 0.068 30.408 30.300 0.067 0.000 0.856 32 R HN -0.009 nan 8.270 nan 0.000 0.436 33 S N -0.502 115.258 115.700 0.100 0.000 2.524 33 S HA 0.312 4.363 4.470 -0.698 0.000 0.227 33 S C -2.219 172.454 174.600 0.121 0.000 1.304 33 S CA -1.663 56.597 58.200 0.100 0.000 1.185 33 S CB 1.522 64.779 63.200 0.096 0.000 1.104 33 S HN -0.029 nan 8.310 nan 0.000 0.475 34 P HA -0.173 nan 4.420 nan 0.000 0.219 34 P C 1.075 178.452 177.300 0.128 0.000 1.158 34 P CA 1.768 64.935 63.100 0.112 0.000 0.895 34 P CB 0.188 31.939 31.700 0.085 0.000 0.792 35 A N -2.054 120.835 122.820 0.115 0.000 2.251 35 A HA 0.060 3.962 4.320 -0.698 0.000 0.209 35 A C 0.710 178.377 177.584 0.139 0.000 1.187 35 A CA -0.083 52.024 52.037 0.117 0.000 0.823 35 A CB -0.958 18.093 19.000 0.086 0.000 0.846 35 A HN 0.070 nan 8.150 nan 0.000 0.486 36 L N 0.725 122.048 121.223 0.167 0.000 2.562 36 L HA 0.403 4.324 4.340 -0.698 0.000 0.271 36 L C 1.424 178.437 176.870 0.239 0.000 1.167 36 L CA 1.413 56.359 54.840 0.178 0.000 0.917 36 L CB -0.358 41.820 42.059 0.198 0.000 1.187 36 L HN 0.667 nan 8.230 nan 0.000 0.482 37 G N 3.062 111.913 108.800 0.086 0.000 2.179 37 G HA2 -0.208 3.333 3.960 -0.698 0.000 0.260 37 G HA3 -0.208 3.333 3.960 -0.698 0.000 0.260 37 G C 0.505 175.427 174.900 0.037 0.000 0.977 37 G CA 0.300 45.321 45.100 -0.131 0.000 0.641 37 G HN 1.086 nan 8.290 nan 0.000 0.533 38 A N -0.066 122.847 122.820 0.155 0.000 2.313 38 A HA 0.911 4.812 4.320 -0.698 0.000 0.261 38 A C 0.966 178.602 177.584 0.085 0.000 1.090 38 A CA 0.914 53.050 52.037 0.164 0.000 0.807 38 A CB 0.569 19.653 19.000 0.140 0.000 1.055 38 A HN 2.040 nan 8.150 nan 0.000 0.492 39 A N 0.402 123.273 122.820 0.085 0.000 2.287 39 A HA 0.524 4.425 4.320 -0.698 0.000 0.273 39 A C 0.651 178.252 177.584 0.029 0.000 1.091 39 A CA -0.097 51.972 52.037 0.053 0.000 0.817 39 A CB -0.148 18.892 19.000 0.066 0.000 1.069 39 A HN 1.220 nan 8.150 nan 0.000 0.492 40 N N -0.374 118.329 118.700 0.005 0.000 2.758 40 N HA -0.117 4.204 4.740 -0.698 0.000 0.248 40 N C -0.474 175.024 175.510 -0.019 0.000 1.076 40 N CA 1.131 54.167 53.050 -0.023 0.000 0.696 40 N CB -0.725 37.746 38.487 -0.026 0.000 0.979 40 N HN 0.716 nan 8.380 nan 0.000 0.550 41 R N -0.418 120.077 120.500 -0.008 0.000 2.912 41 R HA 0.710 4.632 4.340 -0.698 0.000 0.262 41 R C -0.096 176.207 176.300 0.004 0.000 1.057 41 R CA -0.527 55.574 56.100 0.002 0.000 0.981 41 R CB 1.074 31.387 30.300 0.021 0.000 1.201 41 R HN 0.128 nan 8.270 nan 0.000 0.484 42 A N 1.781 124.611 122.820 0.017 0.000 2.477 42 A HA 0.241 4.142 4.320 -0.698 0.000 0.246 42 A C 0.397 178.001 177.584 0.032 0.000 1.078 42 A CA -0.209 51.845 52.037 0.029 0.000 0.770 42 A CB -0.120 18.907 19.000 0.044 0.000 1.011 42 A HN 0.535 nan 8.150 nan 0.000 0.494 43 L N 1.424 122.668 121.223 0.035 0.000 2.492 43 L HA 0.258 4.179 4.340 -0.698 0.000 0.280 43 L C 1.176 178.065 176.870 0.033 0.000 1.240 43 L CA 0.197 55.053 54.840 0.026 0.000 0.831 43 L CB 0.201 42.291 42.059 0.051 0.000 1.100 43 L HN 0.820 nan 8.230 nan 0.000 0.505 44 A N 3.067 125.894 122.820 0.012 0.000 2.351 44 A HA 0.502 4.403 4.320 -0.698 0.000 0.257 44 A C -0.124 177.492 177.584 0.055 0.000 1.087 44 A CA -0.444 51.631 52.037 0.063 0.000 0.798 44 A CB 0.358 19.422 19.000 0.107 0.000 1.033 44 A HN 0.637 nan 8.150 nan 0.000 0.488 45 R N 1.004 121.598 120.500 0.157 0.000 2.343 45 R HA 0.167 4.088 4.340 -0.698 0.000 0.320 45 R C -0.475 176.062 176.300 0.394 0.000 0.956 45 R CA -0.386 55.828 56.100 0.190 0.000 0.836 45 R CB 0.984 31.373 30.300 0.148 0.000 1.151 45 R HN 0.951 nan 8.270 nan 0.000 0.450 46 W N 2.233 123.623 121.300 0.150 0.000 2.640 46 W HA 0.222 4.470 4.660 -0.688 0.000 0.268 46 W C 0.397 176.991 176.519 0.126 0.000 1.263 46 W CA 0.242 57.684 57.345 0.161 0.000 1.344 46 W CB 0.194 29.698 29.460 0.073 0.000 1.093 46 W HN 0.247 nan 8.180 nan 0.000 0.603 47 L N -0.074 121.314 121.223 0.275 0.000 2.445 47 L HA 0.339 4.260 4.340 -0.698 0.000 0.262 47 L C -2.244 174.637 176.870 0.019 0.000 0.974 47 L CA -2.072 52.779 54.840 0.019 0.000 0.822 47 L CB 2.060 43.870 42.059 -0.414 0.000 1.339 47 L HN -0.515 nan 8.230 nan 0.000 0.409 48 P HA 0.020 nan 4.420 nan 0.000 0.264 48 P C -0.559 176.705 177.300 -0.059 0.000 1.183 48 P CA -0.038 63.053 63.100 -0.015 0.000 0.763 48 P CB 0.548 32.240 31.700 -0.012 0.000 0.807 49 A N 3.279 126.054 122.820 -0.075 0.000 2.511 49 A HA 0.080 3.981 4.320 -0.698 0.000 0.242 49 A C 0.205 177.653 177.584 -0.227 0.000 1.069 49 A CA 0.025 51.944 52.037 -0.198 0.000 0.763 49 A CB -0.140 18.714 19.000 -0.244 0.000 1.001 49 A HN 0.547 nan 8.150 nan 0.000 0.498 50 E N 1.547 121.576 120.200 -0.285 0.000 2.101 50 E HA 0.401 4.332 4.350 -0.698 0.000 0.260 50 E C -1.631 174.901 176.600 -0.113 0.000 0.897 50 E CA -0.039 56.319 56.400 -0.069 0.000 0.744 50 E CB 0.932 30.672 29.700 0.066 0.000 1.140 50 E HN 0.636 nan 8.360 nan 0.000 0.419 51 Y N 0.622 120.922 120.300 -0.001 0.000 2.549 51 Y HA 0.115 4.245 4.550 -0.699 0.000 0.339 51 Y C 1.560 177.098 175.900 -0.603 0.000 1.053 51 Y CA -0.939 56.992 58.100 -0.280 0.000 1.105 51 Y CB 1.264 39.570 38.460 -0.258 0.000 1.258 51 Y HN 0.459 nan 8.280 nan 0.000 0.478 52 E N 0.561 120.303 120.200 -0.763 0.000 2.051 52 E HA -0.204 3.727 4.350 -0.698 0.000 0.192 52 E C 0.369 176.768 176.600 -0.335 0.000 0.991 52 E CA 1.737 57.633 56.400 -0.840 0.000 0.799 52 E CB 0.063 29.388 29.700 -0.625 0.000 0.748 52 E HN 0.823 nan 8.360 nan 0.000 0.449 53 D N -1.429 118.813 120.400 -0.263 0.000 2.370 53 D HA 0.087 4.309 4.640 -0.698 0.000 0.230 53 D C 1.183 177.416 176.300 -0.111 0.000 1.143 53 D CA 0.622 54.517 54.000 -0.175 0.000 0.834 53 D CB 0.093 40.763 40.800 -0.217 0.000 0.944 53 D HN 0.344 nan 8.370 nan 0.000 0.504 54 G N 0.475 109.236 108.800 -0.066 0.000 2.284 54 G HA2 -0.388 3.153 3.960 -0.698 0.000 0.268 54 G HA3 -0.388 3.153 3.960 -0.698 0.000 0.268 54 G C 0.890 175.815 174.900 0.040 0.000 0.980 54 G CA 0.903 46.014 45.100 0.018 0.000 0.631 54 G HN 0.477 nan 8.290 nan 0.000 0.548 55 L N -1.789 119.390 121.223 -0.073 0.000 2.445 55 L HA 0.577 4.499 4.340 -0.698 0.000 0.207 55 L C 2.372 178.924 176.870 -0.530 0.000 1.053 55 L CA 1.477 56.202 54.840 -0.191 0.000 0.841 55 L CB 0.168 42.095 42.059 -0.221 0.000 1.074 55 L HN 0.610 nan 8.230 nan 0.000 0.479 56 A N -1.829 120.451 122.820 -0.900 0.000 2.590 56 A HA 0.176 4.078 4.320 -0.698 0.000 0.153 56 A C 0.090 176.902 177.584 -1.287 0.000 1.705 56 A CA -0.236 50.860 52.037 -1.569 0.000 1.228 56 A CB 0.223 18.655 19.000 -0.947 0.000 1.463 56 A HN -0.079 nan 8.150 nan 0.000 0.425 57 V N 3.165 122.567 119.914 -0.854 0.000 2.521 57 V HA 0.273 3.974 4.120 -0.698 0.000 0.286 57 V C -2.352 173.451 176.094 -0.484 0.000 1.034 57 V CA -1.034 60.776 62.300 -0.816 0.000 1.045 57 V CB 0.734 32.112 31.823 -0.742 0.000 0.974 57 V HN 0.274 nan 8.190 nan 0.000 0.480 58 P HA 0.173 nan 4.420 nan 0.000 0.274 58 P C -0.526 176.752 177.300 -0.038 0.000 1.231 58 P CA -0.380 62.661 63.100 -0.098 0.000 0.790 58 P CB 0.356 31.927 31.700 -0.216 0.000 0.951 59 F N 1.694 121.736 119.950 0.153 0.000 2.502 59 F HA 0.347 4.455 4.527 -0.699 0.000 0.371 59 F C 1.757 177.697 175.800 0.233 0.000 1.083 59 F CA 1.761 59.858 58.000 0.161 0.000 1.174 59 F CB -0.184 38.897 39.000 0.136 0.000 1.096 59 F HN 0.632 nan 8.300 nan 0.000 0.545 60 G N 3.476 112.504 108.800 0.380 0.000 2.205 60 G HA2 -0.256 3.286 3.960 -0.698 0.000 0.180 60 G HA3 -0.256 3.286 3.960 -0.698 0.000 0.180 60 G C 0.839 175.962 174.900 0.371 0.000 1.004 60 G CA -0.016 45.300 45.100 0.360 0.000 0.670 60 G HN 0.709 nan 8.290 nan 0.000 0.496 61 W N 1.641 122.976 121.300 0.058 0.000 2.463 61 W HA 0.179 4.419 4.660 -0.700 0.000 0.316 61 W C 0.424 176.938 176.519 -0.008 0.000 1.170 61 W CA 1.996 59.311 57.345 -0.050 0.000 1.355 61 W CB -0.333 28.960 29.460 -0.279 0.000 1.159 61 W HN 0.150 nan 8.180 nan 0.000 0.487 62 T N 1.544 116.277 114.554 0.299 0.000 2.909 62 T HA 0.116 4.048 4.350 -0.698 0.000 0.286 62 T C 0.676 175.438 174.700 0.103 0.000 1.002 62 T CA -0.304 61.890 62.100 0.156 0.000 1.074 62 T CB 1.592 70.568 68.868 0.181 0.000 0.984 62 T HN 0.176 nan 8.240 nan 0.000 0.495 63 Q N 0.689 120.523 119.800 0.056 0.000 2.219 63 Q HA 0.197 4.118 4.340 -0.698 0.000 0.209 63 Q C 1.362 177.396 176.000 0.056 0.000 0.854 63 Q CA -0.256 55.582 55.803 0.059 0.000 0.960 63 Q CB 0.073 28.829 28.738 0.030 0.000 1.116 63 Q HN 0.593 nan 8.270 nan 0.000 0.500 64 R N 0.142 120.674 120.500 0.054 0.000 2.206 64 R HA 0.240 4.162 4.340 -0.698 0.000 0.198 64 R C 0.340 176.676 176.300 0.060 0.000 0.986 64 R CA -0.237 55.891 56.100 0.046 0.000 1.029 64 R CB 0.103 30.422 30.300 0.033 0.000 0.966 64 R HN -0.110 nan 8.270 nan 0.000 0.487 65 K N 2.423 122.869 120.400 0.077 0.000 2.350 65 K HA 0.086 3.987 4.320 -0.698 0.000 0.279 65 K C 0.110 176.798 176.600 0.147 0.000 1.027 65 K CA 0.388 56.733 56.287 0.097 0.000 0.969 65 K CB 1.420 33.972 32.500 0.088 0.000 0.954 65 K HN 0.267 nan 8.250 nan 0.000 0.474 66 T N -0.378 114.274 114.554 0.163 0.000 2.883 66 T HA 0.468 4.400 4.350 -0.698 0.000 0.284 66 T C -0.366 174.509 174.700 0.291 0.000 1.041 66 T CA -1.042 61.177 62.100 0.198 0.000 1.007 66 T CB 1.779 70.709 68.868 0.103 0.000 1.220 66 T HN 0.553 nan 8.240 nan 0.000 0.552 67 R N 0.913 121.532 120.500 0.198 0.000 2.320 67 R HA 0.358 4.279 4.340 -0.698 0.000 0.319 67 R C -0.399 175.932 176.300 0.051 0.000 0.969 67 R CA -0.354 55.739 56.100 -0.012 0.000 0.857 67 R CB -0.120 29.929 30.300 -0.418 0.000 1.160 67 R HN 0.800 nan 8.270 nan 0.000 0.491 68 N N 3.188 121.909 118.700 0.035 0.000 2.725 68 N HA -0.200 4.121 4.740 -0.698 0.000 0.249 68 N C 0.447 175.888 175.510 -0.115 0.000 1.103 68 N CA 1.595 54.662 53.050 0.029 0.000 0.707 68 N CB -1.065 37.482 38.487 0.100 0.000 1.043 68 N HN 1.078 nan 8.380 nan 0.000 0.553 69 G N -2.216 106.479 108.800 -0.175 0.000 2.175 69 G HA2 -0.286 3.256 3.960 -0.698 0.000 0.244 69 G HA3 -0.286 3.256 3.960 -0.698 0.000 0.244 69 G C -0.116 174.422 174.900 -0.604 0.000 0.982 69 G CA 0.414 45.247 45.100 -0.445 0.000 0.641 69 G HN 0.414 nan 8.290 nan 0.000 0.527 70 F N -0.255 119.719 119.950 0.040 0.000 2.603 70 F HA 0.736 4.845 4.527 -0.697 0.000 0.317 70 F C 0.620 176.451 175.800 0.053 0.000 1.066 70 F CA -1.341 56.683 58.000 0.040 0.000 0.941 70 F CB 1.164 40.186 39.000 0.036 0.000 1.291 70 F HN -0.061 nan 8.300 nan 0.000 0.472 71 R N 1.131 121.784 120.500 0.255 0.000 2.390 71 R HA 0.561 4.483 4.340 -0.698 0.000 0.291 71 R C -0.767 175.614 176.300 0.135 0.000 1.070 71 R CA -0.870 55.330 56.100 0.167 0.000 1.014 71 R CB 0.874 31.241 30.300 0.112 0.000 1.007 71 R HN 0.525 nan 8.270 nan 0.000 0.466 72 V N 0.786 120.784 119.914 0.140 0.000 2.963 72 V HA 0.245 3.946 4.120 -0.698 0.000 0.306 72 V C -1.632 174.462 176.094 -0.000 0.000 1.077 72 V CA -1.580 60.778 62.300 0.096 0.000 1.124 72 V CB 0.009 31.936 31.823 0.174 0.000 0.987 72 V HN 0.721 nan 8.190 nan 0.000 0.487 73 P HA 0.428 nan 4.420 nan 0.000 0.286 73 P C -0.514 176.717 177.300 -0.114 0.000 1.261 73 P CA -0.723 62.264 63.100 -0.189 0.000 0.821 73 P CB 1.145 32.590 31.700 -0.425 0.000 1.013 74 L N 2.010 123.184 121.223 -0.082 0.000 2.540 74 L HA 0.006 3.927 4.340 -0.698 0.000 0.276 74 L C 2.094 178.923 176.870 -0.067 0.000 1.212 74 L CA -0.189 54.609 54.840 -0.070 0.000 0.893 74 L CB -0.086 41.937 42.059 -0.060 0.000 1.138 74 L HN 0.495 nan 8.230 nan 0.000 0.491 75 A N 3.796 126.566 122.820 -0.082 0.000 1.881 75 A HA -0.293 3.608 4.320 -0.698 0.000 0.219 75 A C 2.292 179.870 177.584 -0.010 0.000 1.215 75 A CA 2.299 54.303 52.037 -0.055 0.000 0.648 75 A CB -0.485 18.429 19.000 -0.143 0.000 0.832 75 A HN 0.887 nan 8.150 nan 0.000 0.455 76 R N 0.235 120.725 120.500 -0.017 0.000 2.159 76 R HA -0.147 3.774 4.340 -0.698 0.000 0.237 76 R C 1.976 178.305 176.300 0.048 0.000 1.131 76 R CA 2.135 58.262 56.100 0.045 0.000 0.982 76 R CB -0.543 29.819 30.300 0.103 0.000 0.868 76 R HN 0.761 nan 8.270 nan 0.000 0.453 77 E N -0.814 119.396 120.200 0.016 0.000 2.046 77 E HA -0.101 3.830 4.350 -0.698 0.000 0.190 77 E C 1.724 178.329 176.600 0.008 0.000 0.982 77 E CA 1.263 57.665 56.400 0.004 0.000 0.800 77 E CB 0.018 29.702 29.700 -0.028 0.000 0.756 77 E HN 0.169 nan 8.360 nan 0.000 0.449 78 V N 0.869 120.782 119.914 -0.001 0.000 2.380 78 V HA -0.290 3.411 4.120 -0.698 0.000 0.251 78 V C 2.436 178.591 176.094 0.101 0.000 1.063 78 V CA 1.912 64.235 62.300 0.039 0.000 1.055 78 V CB -0.619 31.260 31.823 0.093 0.000 0.657 78 V HN 0.320 nan 8.190 nan 0.000 0.455 79 S N 0.243 116.008 115.700 0.109 0.000 2.349 79 S HA -0.221 3.830 4.470 -0.698 0.000 0.216 79 S C 1.969 176.626 174.600 0.096 0.000 1.033 79 S CA 1.836 60.117 58.200 0.134 0.000 1.021 79 S CB -0.465 62.808 63.200 0.122 0.000 0.968 79 S HN 0.658 nan 8.310 nan 0.000 0.426 80 N N 1.240 119.978 118.700 0.063 0.000 2.096 80 N HA -0.136 4.186 4.740 -0.698 0.000 0.195 80 N C 1.695 177.229 175.510 0.041 0.000 1.017 80 N CA 1.463 54.537 53.050 0.040 0.000 0.870 80 N CB -0.401 38.097 38.487 0.020 0.000 1.024 80 N HN 0.479 nan 8.380 nan 0.000 0.434 81 K N -0.589 119.835 120.400 0.039 0.000 2.137 81 K HA 0.133 4.035 4.320 -0.698 0.000 0.202 81 K C 1.494 178.126 176.600 0.052 0.000 1.052 81 K CA 0.549 56.857 56.287 0.035 0.000 0.961 81 K CB 0.350 32.860 32.500 0.018 0.000 0.741 81 K HN 0.081 nan 8.250 nan 0.000 0.452 82 I N -0.576 120.037 120.570 0.071 0.000 3.194 82 I HA -0.059 3.692 4.170 -0.698 0.000 0.271 82 I C 1.999 178.176 176.117 0.100 0.000 1.150 82 I CA 0.663 62.010 61.300 0.079 0.000 1.440 82 I CB -0.550 37.500 38.000 0.083 0.000 1.276 82 I HN -0.163 nan 8.210 nan 0.000 0.457 83 V N 1.494 121.487 119.914 0.132 0.000 2.270 83 V HA -0.019 3.682 4.120 -0.698 0.000 0.245 83 V C 1.637 177.846 176.094 0.192 0.000 1.043 83 V CA 1.402 63.803 62.300 0.169 0.000 1.014 83 V CB -1.383 30.581 31.823 0.236 0.000 0.645 83 V HN 0.419 nan 8.190 nan 0.000 0.447 84 G N -0.538 108.347 108.800 0.142 0.000 2.636 84 G HA2 0.394 3.935 3.960 -0.698 0.000 0.246 84 G HA3 0.394 3.935 3.960 -0.698 0.000 0.246 84 G C -0.849 174.156 174.900 0.175 0.000 1.216 84 G CA 0.318 45.474 45.100 0.093 0.000 0.854 84 G HN 0.613 nan 8.290 nan 0.000 0.572 85 Y N -1.481 118.850 120.300 0.052 0.000 2.624 85 Y HA 0.599 4.728 4.550 -0.702 0.000 0.334 85 Y C -0.447 175.478 175.900 0.042 0.000 1.155 85 Y CA -1.266 56.859 58.100 0.042 0.000 1.046 85 Y CB 0.971 39.457 38.460 0.043 0.000 1.316 85 Y HN 0.317 nan 8.280 nan 0.000 0.457 86 L N 0.893 122.216 121.223 0.167 0.000 2.349 86 L HA 0.253 4.174 4.340 -0.698 0.000 0.200 86 L C 0.186 177.159 176.870 0.171 0.000 1.064 86 L CA 1.004 55.885 54.840 0.069 0.000 0.821 86 L CB -0.133 41.959 42.059 0.055 0.000 1.027 86 L HN 0.826 nan 8.230 nan 0.000 0.476 87 D N 0.221 120.775 120.400 0.257 0.000 2.359 87 D HA 0.010 4.232 4.640 -0.698 0.000 0.250 87 D C 0.890 177.357 176.300 0.278 0.000 1.264 87 D CA 0.244 54.367 54.000 0.206 0.000 0.911 87 D CB 0.675 41.550 40.800 0.124 0.000 1.056 87 D HN 0.115 nan 8.370 nan 0.000 0.499 88 E N 2.185 122.545 120.200 0.266 0.000 2.478 88 E HA -0.076 3.855 4.350 -0.698 0.000 0.198 88 E C 0.077 176.758 176.600 0.135 0.000 1.046 88 E CA 0.415 56.981 56.400 0.276 0.000 0.870 88 E CB 0.232 30.062 29.700 0.217 0.000 0.818 88 E HN 0.536 nan 8.360 nan 0.000 0.527 89 E N 0.419 120.677 120.200 0.096 0.000 2.376 89 E HA 0.102 4.033 4.350 -0.698 0.000 0.266 89 E C 0.946 177.563 176.600 0.029 0.000 1.009 89 E CA 0.397 56.832 56.400 0.057 0.000 0.902 89 E CB 0.681 30.410 29.700 0.048 0.000 0.972 89 E HN 0.323 nan 8.360 nan 0.000 0.439 90 G N 2.232 111.048 108.800 0.025 0.000 2.153 90 G HA2 -0.309 3.232 3.960 -0.698 0.000 0.252 90 G HA3 -0.309 3.232 3.960 -0.698 0.000 0.252 90 G C 0.723 175.616 174.900 -0.011 0.000 0.994 90 G CA 0.519 45.624 45.100 0.008 0.000 0.698 90 G HN 0.555 nan 8.290 nan 0.000 0.521 91 V N -1.983 117.926 119.914 -0.008 0.000 3.647 91 V HA 0.556 4.257 4.120 -0.698 0.000 0.279 91 V C 1.381 177.486 176.094 0.019 0.000 1.314 91 V CA -0.069 62.212 62.300 -0.032 0.000 1.125 91 V CB -0.158 31.619 31.823 -0.078 0.000 0.907 91 V HN 0.378 nan 8.190 nan 0.000 0.434 92 L N 1.166 122.412 121.223 0.038 0.000 2.452 92 L HA 0.359 4.281 4.340 -0.698 0.000 0.267 92 L C 0.298 177.198 176.870 0.049 0.000 1.188 92 L CA 0.106 54.981 54.840 0.058 0.000 0.821 92 L CB 0.311 42.407 42.059 0.062 0.000 1.102 92 L HN 0.170 nan 8.230 nan 0.000 0.470 93 D N 1.524 121.963 120.400 0.065 0.000 2.380 93 D HA 0.022 4.243 4.640 -0.698 0.000 0.230 93 D C 0.753 177.071 176.300 0.030 0.000 1.154 93 D CA -0.266 53.763 54.000 0.049 0.000 0.859 93 D CB 1.335 42.180 40.800 0.075 0.000 1.045 93 D HN 0.390 nan 8.370 nan 0.000 0.495 94 Q N 2.178 121.985 119.800 0.012 0.000 2.368 94 Q HA -0.129 3.792 4.340 -0.698 0.000 0.210 94 Q C 0.474 176.469 176.000 -0.009 0.000 0.982 94 Q CA 0.897 56.703 55.803 0.005 0.000 0.884 94 Q CB 0.057 28.794 28.738 -0.003 0.000 0.933 94 Q HN 0.377 nan 8.270 nan 0.000 0.460 95 N N 0.149 118.831 118.700 -0.031 0.000 2.536 95 N HA 0.086 4.408 4.740 -0.698 0.000 0.286 95 N C -1.328 174.117 175.510 -0.109 0.000 1.577 95 N CA -0.047 52.967 53.050 -0.060 0.000 0.883 95 N CB 0.537 38.977 38.487 -0.079 0.000 1.390 95 N HN -0.135 nan 8.380 nan 0.000 0.491 96 R N 0.165 120.628 120.500 -0.062 0.000 2.515 96 R HA 0.294 4.215 4.340 -0.698 0.000 0.278 96 R C -0.539 175.825 176.300 0.107 0.000 1.107 96 R CA -0.481 55.577 56.100 -0.071 0.000 0.945 96 R CB 1.103 31.270 30.300 -0.221 0.000 1.219 96 R HN 0.275 nan 8.270 nan 0.000 0.434 97 S N 1.731 117.532 115.700 0.168 0.000 2.632 97 S HA 0.252 4.304 4.470 -0.698 0.000 0.267 97 S C 1.467 176.220 174.600 0.255 0.000 1.276 97 S CA -0.809 57.501 58.200 0.184 0.000 0.998 97 S CB 0.954 64.239 63.200 0.141 0.000 0.953 97 S HN 0.667 nan 8.310 nan 0.000 0.547 98 L N 0.481 121.821 121.223 0.195 0.000 2.129 98 L HA -0.107 3.815 4.340 -0.698 0.000 0.212 98 L C 2.317 179.304 176.870 0.195 0.000 1.087 98 L CA 1.227 56.175 54.840 0.181 0.000 0.757 98 L CB -0.545 41.593 42.059 0.132 0.000 0.896 98 L HN 0.824 nan 8.230 nan 0.000 0.434 99 L N -0.673 120.660 121.223 0.184 0.000 2.127 99 L HA -0.276 3.645 4.340 -0.698 0.000 0.211 99 L C 2.222 179.313 176.870 0.368 0.000 1.089 99 L CA 1.744 56.673 54.840 0.148 0.000 0.757 99 L CB -0.814 41.206 42.059 -0.064 0.000 0.899 99 L HN 0.201 nan 8.230 nan 0.000 0.434 100 F N -0.365 119.783 119.950 0.330 0.000 2.126 100 F HA -0.280 3.855 4.527 -0.652 0.000 0.299 100 F C 2.415 178.408 175.800 0.321 0.000 1.096 100 F CA 2.266 60.517 58.000 0.418 0.000 1.255 100 F CB -0.419 38.761 39.000 0.300 0.000 0.997 100 F HN 0.248 nan 8.300 nan 0.000 0.479 101 M N 0.059 119.738 119.600 0.133 0.000 2.156 101 M HA -0.165 3.897 4.480 -0.698 0.000 0.264 101 M C 2.121 178.370 176.300 -0.084 0.000 1.067 101 M CA 1.671 56.934 55.300 -0.062 0.000 1.131 101 M CB -0.882 31.741 32.600 0.039 0.000 1.368 101 M HN 0.292 nan 8.290 nan 0.000 0.416 102 Q N 0.007 119.820 119.800 0.021 0.000 2.084 102 Q HA -0.205 3.717 4.340 -0.698 0.000 0.202 102 Q C 1.902 177.873 176.000 -0.048 0.000 0.978 102 Q CA 2.181 57.974 55.803 -0.018 0.000 0.844 102 Q CB -0.896 27.869 28.738 0.046 0.000 0.898 102 Q HN 0.704 nan 8.270 nan 0.000 0.426 103 W N 0.108 121.301 121.300 -0.178 0.000 2.358 103 W HA -0.134 4.157 4.660 -0.616 0.000 0.303 103 W C 1.711 177.933 176.519 -0.495 0.000 1.208 103 W CA 1.409 58.586 57.345 -0.279 0.000 1.274 103 W CB -0.473 28.886 29.460 -0.169 0.000 1.138 103 W HN 0.331 nan 8.180 nan 0.000 0.515 104 G N 0.543 109.044 108.800 -0.500 0.000 2.529 104 G HA2 -0.436 3.106 3.960 -0.698 0.000 0.219 104 G HA3 -0.436 3.106 3.960 -0.698 0.000 0.219 104 G C 1.378 175.821 174.900 -0.762 0.000 1.177 104 G CA 1.446 46.151 45.100 -0.658 0.000 0.773 104 G HN 0.473 nan 8.290 nan 0.000 0.573 105 Q N -0.477 118.930 119.800 -0.654 0.000 2.291 105 Q HA -0.025 3.896 4.340 -0.698 0.000 0.205 105 Q C 2.332 177.865 176.000 -0.778 0.000 0.970 105 Q CA 0.733 56.099 55.803 -0.729 0.000 0.876 105 Q CB -0.129 28.243 28.738 -0.610 0.000 0.935 105 Q HN 0.491 nan 8.270 nan 0.000 0.455 106 I N -0.725 119.429 120.570 -0.692 0.000 2.206 106 I HA -0.217 3.535 4.170 -0.698 0.000 0.239 106 I C 2.173 177.972 176.117 -0.531 0.000 1.078 106 I CA 0.648 61.552 61.300 -0.661 0.000 1.367 106 I CB -0.488 36.990 38.000 -0.869 0.000 1.078 106 I HN 0.013 nan 8.210 nan 0.000 0.413 107 V N 0.873 120.399 119.914 -0.647 0.000 2.231 107 V HA -0.410 3.291 4.120 -0.698 0.000 0.250 107 V C 2.361 178.490 176.094 0.059 0.000 1.058 107 V CA 2.448 64.610 62.300 -0.231 0.000 1.022 107 V CB -0.765 31.033 31.823 -0.042 0.000 0.640 107 V HN 0.564 nan 8.190 nan 0.000 0.445 108 D N -0.851 119.542 120.400 -0.012 0.000 2.127 108 D HA -0.277 3.945 4.640 -0.698 0.000 0.190 108 D C 1.933 178.311 176.300 0.130 0.000 1.000 108 D CA 2.244 56.275 54.000 0.052 0.000 0.839 108 D CB -0.250 40.257 40.800 -0.488 0.000 0.955 108 D HN 0.693 nan 8.370 nan 0.000 0.446 109 H N -0.517 118.458 119.070 -0.158 0.000 2.518 109 H HA -0.108 4.114 4.556 -0.556 0.000 0.292 109 H C 1.692 176.993 175.328 -0.044 0.000 1.068 109 H CA 0.742 56.714 56.048 -0.126 0.000 1.275 109 H CB 0.289 29.946 29.762 -0.175 0.000 1.375 109 H HN 0.255 nan 8.280 nan 0.000 0.563 110 D N 0.738 121.198 120.400 0.100 0.000 2.183 110 D HA -0.065 4.156 4.640 -0.698 0.000 0.205 110 D C 2.030 178.416 176.300 0.144 0.000 0.962 110 D CA 0.421 54.486 54.000 0.108 0.000 0.849 110 D CB 0.274 41.129 40.800 0.092 0.000 0.978 110 D HN 0.345 nan 8.370 nan 0.000 0.488 111 L N 0.229 121.558 121.223 0.177 0.000 2.307 111 L HA 0.138 4.060 4.340 -0.698 0.000 0.211 111 L C 0.557 177.507 176.870 0.132 0.000 1.099 111 L CA 0.531 55.465 54.840 0.157 0.000 0.816 111 L CB -0.012 42.169 42.059 0.204 0.000 0.952 111 L HN 0.073 nan 8.230 nan 0.000 0.455 112 D N -1.925 118.570 120.400 0.159 0.000 2.648 112 D HA 0.296 4.517 4.640 -0.698 0.000 0.244 112 D C -1.445 174.968 176.300 0.188 0.000 1.244 112 D CA -0.422 53.665 54.000 0.145 0.000 0.772 112 D CB 2.779 43.664 40.800 0.142 0.000 1.379 112 D HN -0.212 nan 8.370 nan 0.000 0.428 113 F N 0.743 120.672 119.950 -0.035 0.000 2.911 113 F HA 0.523 4.644 4.527 -0.676 0.000 0.349 113 F C -1.935 173.842 175.800 -0.038 0.000 1.222 113 F CA -0.851 57.107 58.000 -0.070 0.000 1.164 113 F CB 1.231 40.171 39.000 -0.099 0.000 1.454 113 F HN 0.646 nan 8.300 nan 0.000 0.616 114 A N 7.650 130.443 122.820 -0.045 0.000 2.280 114 A HA 0.762 4.663 4.320 -0.698 0.000 0.320 114 A C -2.610 174.723 177.584 -0.418 0.000 1.366 114 A CA -1.487 50.436 52.037 -0.191 0.000 0.938 114 A CB -0.122 18.930 19.000 0.087 0.000 1.157 114 A HN 0.454 nan 8.150 nan 0.000 0.536 115 P HA 0.158 nan 4.420 nan 0.000 0.272 115 P C 0.135 177.282 177.300 -0.255 0.000 1.254 115 P CA -0.127 62.583 63.100 -0.651 0.000 0.795 115 P CB 0.613 31.958 31.700 -0.593 0.000 1.022 116 E N -1.006 119.086 120.200 -0.181 0.000 2.267 116 E HA 0.348 4.279 4.350 -0.698 0.000 0.258 116 E C -0.328 176.205 176.600 -0.112 0.000 1.074 116 E CA -0.615 55.719 56.400 -0.110 0.000 0.915 116 E CB 0.735 30.358 29.700 -0.130 0.000 1.186 116 E HN 0.453 nan 8.360 nan 0.000 0.439 117 T N -1.263 113.259 114.554 -0.054 0.000 2.875 117 T HA 0.245 4.177 4.350 -0.698 0.000 0.284 117 T C 0.417 175.036 174.700 -0.135 0.000 0.995 117 T CA -0.634 61.436 62.100 -0.049 0.000 1.060 117 T CB 1.484 70.408 68.868 0.093 0.000 0.967 117 T HN 0.637 nan 8.240 nan 0.000 0.476 118 E N 1.363 121.484 120.200 -0.132 0.000 3.275 118 E HA 0.198 4.129 4.350 -0.698 0.000 0.182 118 E C 0.443 176.992 176.600 -0.085 0.000 1.217 118 E CA -0.524 55.784 56.400 -0.153 0.000 1.276 118 E CB -0.280 29.319 29.700 -0.168 0.000 1.980 118 E HN 0.363 nan 8.360 nan 0.000 0.516 119 L N 1.206 122.379 121.223 -0.084 0.000 4.312 119 L HA -0.159 3.762 4.340 -0.698 0.000 0.427 119 L C -0.107 176.738 176.870 -0.040 0.000 1.149 119 L CA 1.420 56.224 54.840 -0.060 0.000 0.978 119 L CB -1.198 40.836 42.059 -0.042 0.000 1.963 119 L HN 0.562 nan 8.230 nan 0.000 0.970 120 G N -2.064 106.703 108.800 -0.056 0.000 3.003 120 G HA2 0.457 3.998 3.960 -0.698 0.000 0.293 120 G HA3 0.457 3.998 3.960 -0.698 0.000 0.293 120 G C 0.502 175.367 174.900 -0.059 0.000 1.553 120 G CA 0.349 45.423 45.100 -0.043 0.000 1.078 120 G HN 0.022 nan 8.290 nan 0.000 0.550 121 S N 0.933 116.604 115.700 -0.050 0.000 2.446 121 S HA 0.095 4.147 4.470 -0.698 0.000 0.225 121 S C 1.568 176.139 174.600 -0.048 0.000 1.016 121 S CA 1.127 59.296 58.200 -0.052 0.000 0.943 121 S CB 0.142 63.315 63.200 -0.045 0.000 0.786 121 S HN 0.742 nan 8.310 nan 0.000 0.508 122 S N 0.980 116.655 115.700 -0.040 0.000 2.606 122 S HA 0.379 4.430 4.470 -0.698 0.000 0.156 122 S C -0.982 173.597 174.600 -0.035 0.000 1.308 122 S CA -0.599 57.576 58.200 -0.041 0.000 1.228 122 S CB 0.242 63.414 63.200 -0.046 0.000 1.568 122 S HN 0.216 nan 8.310 nan 0.000 0.397 123 E N 0.662 120.856 120.200 -0.009 0.000 2.351 123 E HA 0.473 4.404 4.350 -0.698 0.000 0.255 123 E C 0.471 177.141 176.600 0.116 0.000 1.188 123 E CA -0.101 56.323 56.400 0.041 0.000 0.940 123 E CB 0.627 30.359 29.700 0.054 0.000 1.094 123 E HN 0.659 nan 8.360 nan 0.000 0.474 124 H N -0.960 118.144 119.070 0.056 0.000 3.876 124 H HA 0.113 4.250 4.556 -0.698 0.000 0.262 124 H C 1.255 176.647 175.328 0.107 0.000 1.158 124 H CA 0.457 56.550 56.048 0.075 0.000 1.170 124 H CB 0.818 30.614 29.762 0.057 0.000 1.528 124 H HN 0.442 nan 8.280 nan 0.000 0.689 125 S N 0.653 116.489 115.700 0.227 0.000 2.436 125 S HA -0.102 3.949 4.470 -0.698 0.000 0.228 125 S C 1.949 176.712 174.600 0.273 0.000 1.014 125 S CA 1.122 59.444 58.200 0.203 0.000 0.950 125 S CB 0.105 63.416 63.200 0.183 0.000 0.784 125 S HN 0.376 nan 8.310 nan 0.000 0.504 126 K N 0.381 120.941 120.400 0.266 0.000 2.097 126 K HA 0.008 3.910 4.320 -0.698 0.000 0.205 126 K C 1.775 178.568 176.600 0.321 0.000 1.050 126 K CA 1.441 57.919 56.287 0.320 0.000 0.938 126 K CB -0.177 32.397 32.500 0.124 0.000 0.718 126 K HN 0.295 nan 8.250 nan 0.000 0.442 127 V N 0.882 120.934 119.914 0.230 0.000 2.649 127 V HA -0.146 3.556 4.120 -0.698 0.000 0.248 127 V C 2.309 178.505 176.094 0.170 0.000 1.054 127 V CA 1.590 63.992 62.300 0.169 0.000 1.073 127 V CB -0.109 31.787 31.823 0.122 0.000 0.699 127 V HN 0.441 nan 8.190 nan 0.000 0.463 128 Q N -1.220 118.689 119.800 0.182 0.000 2.224 128 Q HA -0.217 3.705 4.340 -0.698 0.000 0.203 128 Q C 2.245 178.350 176.000 0.175 0.000 0.970 128 Q CA 2.226 58.165 55.803 0.226 0.000 0.865 128 Q CB -0.336 28.465 28.738 0.106 0.000 0.922 128 Q HN 0.682 nan 8.270 nan 0.000 0.445 129 c N -0.054 118.613 118.600 0.112 0.000 2.587 129 c HA -0.042 4.110 4.570 -0.698 0.000 0.282 129 c C 2.467 176.546 174.090 -0.019 0.000 1.277 129 c CA 0.634 56.957 56.329 -0.009 0.000 1.702 129 c CB -0.725 41.701 42.510 -0.140 0.000 2.113 129 c HN 0.597 nan 8.230 nan 0.000 0.490 130 E N 0.544 120.774 120.200 0.050 0.000 2.065 130 E HA -0.208 3.724 4.350 -0.698 0.000 0.201 130 E C 2.057 178.584 176.600 -0.121 0.000 1.016 130 E CA 1.849 58.240 56.400 -0.014 0.000 0.818 130 E CB -0.375 29.375 29.700 0.083 0.000 0.749 130 E HN 0.738 nan 8.360 nan 0.000 0.453 131 E N -1.287 118.805 120.200 -0.180 0.000 2.276 131 E HA -0.070 3.861 4.350 -0.698 0.000 0.193 131 E C 1.638 177.759 176.600 -0.797 0.000 0.983 131 E CA 0.536 56.642 56.400 -0.491 0.000 0.861 131 E CB -0.041 29.267 29.700 -0.654 0.000 0.817 131 E HN 0.424 nan 8.360 nan 0.000 0.485 132 Y N -0.295 119.968 120.300 -0.062 0.000 2.444 132 Y HA 0.201 4.333 4.550 -0.698 0.000 0.252 132 Y C 0.613 176.460 175.900 -0.088 0.000 1.091 132 Y CA -0.499 57.560 58.100 -0.069 0.000 1.276 132 Y CB 0.268 38.690 38.460 -0.064 0.000 1.170 132 Y HN -0.080 nan 8.280 nan 0.000 0.517 133 c N 1.618 120.202 118.600 -0.027 0.000 3.690 133 c HA -0.128 4.023 4.570 -0.698 0.000 0.295 133 c C 0.102 174.161 174.090 -0.053 0.000 1.283 133 c CA -0.880 55.397 56.329 -0.087 0.000 2.212 133 c CB -2.948 39.479 42.510 -0.138 0.000 1.407 133 c HN 0.143 nan 8.230 nan 0.000 0.595 134 V N 2.694 122.594 119.914 -0.023 0.000 2.293 134 V HA 0.263 3.965 4.120 -0.698 0.000 0.275 134 V C 0.514 176.554 176.094 -0.090 0.000 1.021 134 V CA 0.196 62.471 62.300 -0.040 0.000 0.815 134 V CB 1.596 33.419 31.823 0.001 0.000 1.025 134 V HN 0.701 nan 8.190 nan 0.000 0.448 135 Q N 3.269 122.965 119.800 -0.173 0.000 2.255 135 Q HA 0.380 4.301 4.340 -0.698 0.000 0.280 135 Q C 0.792 176.653 176.000 -0.231 0.000 1.068 135 Q CA 0.972 56.597 55.803 -0.297 0.000 0.911 135 Q CB 0.846 29.260 28.738 -0.541 0.000 1.157 135 Q HN 0.896 nan 8.270 nan 0.000 0.380 136 G N 3.308 112.075 108.800 -0.054 0.000 2.789 136 G HA2 -0.010 3.532 3.960 -0.698 0.000 0.164 136 G HA3 -0.010 3.532 3.960 -0.698 0.000 0.164 136 G C 0.039 175.149 174.900 0.350 0.000 1.279 136 G CA 0.454 45.633 45.100 0.131 0.000 0.741 136 G HN 0.607 nan 8.290 nan 0.000 0.685 137 D N -0.534 120.039 120.400 0.288 0.000 3.136 137 D HA 0.230 4.451 4.640 -0.698 0.000 0.254 137 D C 1.474 177.940 176.300 0.277 0.000 1.563 137 D CA 0.138 54.291 54.000 0.256 0.000 1.225 137 D CB 0.684 41.591 40.800 0.179 0.000 1.079 137 D HN 0.040 nan 8.370 nan 0.000 0.314 138 E N -0.242 120.126 120.200 0.280 0.000 2.474 138 E HA 0.142 4.073 4.350 -0.698 0.000 0.195 138 E C -0.381 176.428 176.600 0.349 0.000 1.039 138 E CA -0.070 56.530 56.400 0.333 0.000 0.881 138 E CB 0.233 30.150 29.700 0.361 0.000 0.970 138 E HN 0.090 nan 8.360 nan 0.000 0.486 139 c N 1.164 119.896 118.600 0.220 0.000 2.281 139 c HA 0.550 4.702 4.570 -0.698 0.000 0.325 139 c C -0.713 173.496 174.090 0.199 0.000 1.282 139 c CA -0.753 55.553 56.329 -0.038 0.000 1.640 139 c CB -0.819 41.576 42.510 -0.193 0.000 2.288 139 c HN 0.207 nan 8.230 nan 0.000 0.507 140 F N 8.891 128.876 119.950 0.057 0.000 2.660 140 F HA 0.496 4.603 4.527 -0.699 0.000 0.352 140 F C -2.541 173.225 175.800 -0.057 0.000 1.257 140 F CA -3.036 54.999 58.000 0.059 0.000 1.200 140 F CB 0.412 39.608 39.000 0.326 0.000 1.473 140 F HN 0.442 nan 8.300 nan 0.000 0.561 141 P HA 0.074 nan 4.420 nan 0.000 0.267 141 P C -0.275 176.780 177.300 -0.409 0.000 1.201 141 P CA 0.461 63.416 63.100 -0.243 0.000 0.775 141 P CB 0.804 32.371 31.700 -0.222 0.000 0.854 142 I N 2.869 123.210 120.570 -0.382 0.000 2.347 142 I HA 0.181 3.933 4.170 -0.698 0.000 0.283 142 I C 0.410 176.241 176.117 -0.478 0.000 1.058 142 I CA -0.596 60.452 61.300 -0.421 0.000 1.202 142 I CB 0.405 38.214 38.000 -0.318 0.000 1.386 142 I HN 0.140 nan 8.210 nan 0.000 0.475 143 M N 5.080 124.449 119.600 -0.384 0.000 2.226 143 M HA 0.322 4.383 4.480 -0.698 0.000 0.324 143 M C -0.327 175.791 176.300 -0.303 0.000 1.112 143 M CA 0.242 55.320 55.300 -0.370 0.000 1.176 143 M CB 0.009 32.486 32.600 -0.205 0.000 1.430 143 M HN 0.225 nan 8.290 nan 0.000 0.462 144 F N 2.593 122.486 119.950 -0.094 0.000 2.420 144 F HA 0.390 4.497 4.527 -0.699 0.000 0.342 144 F C -1.411 174.349 175.800 -0.067 0.000 1.113 144 F CA -1.754 56.197 58.000 -0.081 0.000 1.059 144 F CB 1.069 40.021 39.000 -0.081 0.000 1.128 144 F HN 0.390 nan 8.300 nan 0.000 0.475 145 P HA 0.030 nan 4.420 nan 0.000 0.277 145 P C -0.953 176.373 177.300 0.042 0.000 1.276 145 P CA -0.717 62.417 63.100 0.057 0.000 0.788 145 P CB 0.754 32.471 31.700 0.028 0.000 1.114 146 K N 0.879 121.289 120.400 0.016 0.000 2.484 146 K HA -0.085 3.816 4.320 -0.698 0.000 0.280 146 K C 0.092 176.687 176.600 -0.010 0.000 1.013 146 K CA 0.546 56.835 56.287 0.003 0.000 1.029 146 K CB -0.907 31.592 32.500 -0.002 0.000 0.902 146 K HN 0.482 nan 8.250 nan 0.000 0.481 147 N N 1.776 120.463 118.700 -0.021 0.000 2.776 147 N HA -0.203 4.118 4.740 -0.698 0.000 0.249 147 N C -1.293 174.179 175.510 -0.062 0.000 1.111 147 N CA 0.703 53.730 53.050 -0.038 0.000 0.711 147 N CB -0.615 37.856 38.487 -0.028 0.000 1.065 147 N HN 0.635 nan 8.380 nan 0.000 0.556 148 D N 0.049 120.396 120.400 -0.088 0.000 2.277 148 D HA 0.173 4.394 4.640 -0.698 0.000 0.249 148 D C -1.420 174.742 176.300 -0.230 0.000 1.134 148 D CA -2.194 51.710 54.000 -0.161 0.000 0.863 148 D CB 1.300 41.971 40.800 -0.215 0.000 1.143 148 D HN -0.046 nan 8.370 nan 0.000 0.458 149 P HA -0.102 nan 4.420 nan 0.000 0.219 149 P C 0.819 177.946 177.300 -0.287 0.000 1.146 149 P CA 1.106 64.090 63.100 -0.193 0.000 0.808 149 P CB 0.312 31.924 31.700 -0.146 0.000 0.779 150 K N -0.985 119.123 120.400 -0.487 0.000 2.442 150 K HA -0.027 3.875 4.320 -0.698 0.000 0.198 150 K C 1.678 177.868 176.600 -0.684 0.000 1.042 150 K CA 0.654 56.516 56.287 -0.709 0.000 0.958 150 K CB -0.404 31.381 32.500 -1.191 0.000 0.766 150 K HN 0.214 nan 8.250 nan 0.000 0.474 151 L N 0.582 121.511 121.223 -0.490 0.000 2.068 151 L HA -0.121 3.800 4.340 -0.698 0.000 0.204 151 L C 1.927 178.728 176.870 -0.115 0.000 1.076 151 L CA 1.222 55.950 54.840 -0.187 0.000 0.753 151 L CB -0.253 41.756 42.059 -0.083 0.000 0.910 151 L HN -0.020 nan 8.230 nan 0.000 0.439 152 K N -0.776 119.547 120.400 -0.127 0.000 2.360 152 K HA -0.100 3.802 4.320 -0.698 0.000 0.201 152 K C 1.588 178.139 176.600 -0.081 0.000 1.046 152 K CA 1.451 57.687 56.287 -0.086 0.000 0.940 152 K CB -0.109 32.342 32.500 -0.083 0.000 0.748 152 K HN 0.321 nan 8.250 nan 0.000 0.465 153 T N -0.453 114.034 114.554 -0.111 0.000 3.075 153 T HA 0.047 3.979 4.350 -0.698 0.000 0.251 153 T C 1.516 176.178 174.700 -0.065 0.000 0.979 153 T CA 0.152 62.200 62.100 -0.086 0.000 1.033 153 T CB 0.419 69.228 68.868 -0.099 0.000 1.104 153 T HN 0.103 nan 8.240 nan 0.000 0.473 154 Q N -0.016 119.738 119.800 -0.075 0.000 2.390 154 Q HA 0.464 4.386 4.340 -0.698 0.000 0.216 154 Q C 1.140 177.164 176.000 0.040 0.000 0.916 154 Q CA 0.475 56.269 55.803 -0.014 0.000 0.911 154 Q CB 1.094 29.834 28.738 0.003 0.000 1.035 154 Q HN 0.511 nan 8.270 nan 0.000 0.541 155 G N 0.180 109.045 108.800 0.107 0.000 2.347 155 G HA2 -0.070 3.472 3.960 -0.698 0.000 0.224 155 G HA3 -0.070 3.472 3.960 -0.698 0.000 0.224 155 G C -0.699 174.328 174.900 0.212 0.000 1.318 155 G CA -0.475 44.679 45.100 0.090 0.000 1.016 155 G HN -0.061 nan 8.290 nan 0.000 0.469 156 K N -0.763 119.683 120.400 0.078 0.000 2.348 156 K HA 0.382 4.284 4.320 -0.698 0.000 0.194 156 K C 0.607 177.043 176.600 -0.273 0.000 1.052 156 K CA 1.028 57.343 56.287 0.048 0.000 1.004 156 K CB 0.413 32.891 32.500 -0.037 0.000 0.873 156 K HN 0.893 nan 8.250 nan 0.000 0.523 157 c N -1.921 116.348 118.600 -0.551 0.000 3.332 157 c HA 0.607 4.758 4.570 -0.698 0.000 0.329 157 c C -1.331 172.269 174.090 -0.818 0.000 1.434 157 c CA -1.358 54.401 56.329 -0.950 0.000 1.314 157 c CB 0.922 43.131 42.510 -0.501 0.000 1.664 157 c HN 0.005 nan 8.230 nan 0.000 0.457 158 M N 3.236 122.426 119.600 -0.685 0.000 2.114 158 M HA 0.432 4.493 4.480 -0.698 0.000 0.332 158 M C -2.426 173.786 176.300 -0.146 0.000 1.014 158 M CA -1.525 53.540 55.300 -0.391 0.000 0.956 158 M CB 1.915 34.356 32.600 -0.265 0.000 1.551 158 M HN 0.580 nan 8.290 nan 0.000 0.427 159 P HA 0.031 nan 4.420 nan 0.000 0.266 159 P C -1.284 176.114 177.300 0.163 0.000 1.195 159 P CA 0.342 63.414 63.100 -0.046 0.000 0.768 159 P CB 0.480 32.114 31.700 -0.110 0.000 0.838 160 F N 3.836 123.681 119.950 -0.175 0.000 2.588 160 F HA 0.521 4.628 4.527 -0.699 0.000 0.318 160 F C -1.845 173.853 175.800 -0.170 0.000 1.155 160 F CA -1.120 56.842 58.000 -0.063 0.000 0.967 160 F CB 1.073 40.014 39.000 -0.098 0.000 1.236 160 F HN 0.075 nan 8.300 nan 0.000 0.455 161 F N 4.580 124.420 119.950 -0.182 0.000 2.492 161 F HA 0.633 4.740 4.527 -0.700 0.000 0.327 161 F C 0.468 176.225 175.800 -0.070 0.000 1.079 161 F CA -0.844 57.163 58.000 0.012 0.000 0.967 161 F CB 1.501 40.491 39.000 -0.016 0.000 1.169 161 F HN 0.307 nan 8.300 nan 0.000 0.472 162 R N 1.258 121.996 120.500 0.397 0.000 2.641 162 R HA 0.552 4.474 4.340 -0.698 0.000 0.269 162 R C 0.034 176.471 176.300 0.228 0.000 1.074 162 R CA -0.522 55.801 56.100 0.373 0.000 1.133 162 R CB 0.443 30.941 30.300 0.329 0.000 1.029 162 R HN 0.757 nan 8.270 nan 0.000 0.488 163 A N 1.367 124.310 122.820 0.205 0.000 2.386 163 A HA 0.370 4.272 4.320 -0.698 0.000 0.246 163 A C 0.527 178.194 177.584 0.138 0.000 1.089 163 A CA 0.092 52.200 52.037 0.117 0.000 0.790 163 A CB 0.130 19.191 19.000 0.102 0.000 1.042 163 A HN 0.764 nan 8.150 nan 0.000 0.497 164 G N -0.817 108.017 108.800 0.056 0.000 2.444 164 G HA2 0.526 4.067 3.960 -0.698 0.000 0.268 164 G HA3 0.526 4.067 3.960 -0.698 0.000 0.268 164 G C -0.318 174.673 174.900 0.152 0.000 1.203 164 G CA -0.284 44.853 45.100 0.063 0.000 0.835 164 G HN 0.780 nan 8.290 nan 0.000 0.543 165 F N 0.302 120.188 119.950 -0.106 0.000 2.671 165 F HA 0.745 4.852 4.527 -0.701 0.000 0.373 165 F C 0.984 176.712 175.800 -0.122 0.000 1.122 165 F CA -1.084 56.854 58.000 -0.104 0.000 1.082 165 F CB -0.090 38.858 39.000 -0.087 0.000 1.399 165 F HN 0.438 nan 8.300 nan 0.000 0.509 166 V N -0.971 118.985 119.914 0.070 0.000 2.344 166 V HA -0.113 3.588 4.120 -0.698 0.000 0.198 166 V C 1.917 177.877 176.094 -0.223 0.000 1.042 166 V CA 0.904 63.159 62.300 -0.075 0.000 1.150 166 V CB -1.506 30.317 31.823 -0.000 0.000 0.716 166 V HN 1.052 nan 8.190 nan 0.000 0.472 167 c N 0.962 119.423 118.600 -0.232 0.000 2.320 167 c HA -0.145 4.006 4.570 -0.698 0.000 0.266 167 c C 0.355 174.174 174.090 -0.452 0.000 1.119 167 c CA 2.342 58.465 56.329 -0.343 0.000 1.813 167 c CB -2.810 39.480 42.510 -0.367 0.000 2.057 167 c HN 0.729 nan 8.230 nan 0.000 0.433 168 P HA 0.275 nan 4.420 nan 0.000 0.229 168 P C 0.859 177.853 177.300 -0.510 0.000 1.166 168 P CA 2.135 64.944 63.100 -0.485 0.000 0.761 168 P CB 0.422 31.855 31.700 -0.446 0.000 1.485 169 T N -4.469 109.713 114.554 -0.620 0.000 3.583 169 T HA 0.082 4.014 4.350 -0.698 0.000 0.294 169 T C -2.706 171.699 174.700 -0.492 0.000 0.891 169 T CA 0.045 61.679 62.100 -0.777 0.000 0.906 169 T CB -1.385 67.220 68.868 -0.437 0.000 1.118 169 T HN 0.037 nan 8.240 nan 0.000 0.763 170 P HA 0.386 nan 4.420 nan 0.000 0.276 170 P C -2.033 175.365 177.300 0.163 0.000 1.252 170 P CA -0.665 62.429 63.100 -0.010 0.000 0.802 170 P CB 0.420 32.117 31.700 -0.006 0.000 1.035 171 P HA -0.308 nan 4.420 nan 0.000 0.224 171 P C 0.293 177.800 177.300 0.344 0.000 0.837 171 P CA 1.845 65.078 63.100 0.222 0.000 1.060 171 P CB -0.602 31.170 31.700 0.121 0.000 0.717 172 Y N -3.025 117.337 120.300 0.103 0.000 2.501 172 Y HA -0.258 3.874 4.550 -0.697 0.000 0.023 172 Y C 0.673 176.580 175.900 0.012 0.000 1.697 172 Y CA 0.732 58.886 58.100 0.090 0.000 1.423 172 Y CB -1.358 37.230 38.460 0.214 0.000 2.068 172 Y HN 0.301 nan 8.280 nan 0.000 0.253 173 Q N 0.044 119.469 119.800 -0.625 0.000 1.820 173 Q HA 0.246 4.168 4.340 -0.698 0.000 0.179 173 Q C -0.097 175.646 176.000 -0.429 0.000 0.798 173 Q CA 0.574 56.116 55.803 -0.435 0.000 0.887 173 Q CB 0.857 29.449 28.738 -0.242 0.000 1.240 173 Q HN 0.532 nan 8.270 nan 0.000 0.394 174 S N -0.001 115.353 115.700 -0.577 0.000 4.089 174 S HA 0.362 4.413 4.470 -0.698 0.000 0.191 174 S C -0.589 173.851 174.600 -0.267 0.000 0.964 174 S CA -0.441 57.625 58.200 -0.223 0.000 1.612 174 S CB 0.191 63.360 63.200 -0.051 0.000 0.736 174 S HN 0.328 nan 8.310 nan 0.000 0.773 175 L N 2.640 123.627 121.223 -0.393 0.000 2.559 175 L HA 0.456 4.378 4.340 -0.698 0.000 0.274 175 L C 0.450 177.041 176.870 -0.465 0.000 1.205 175 L CA -0.880 53.414 54.840 -0.910 0.000 0.907 175 L CB -2.196 39.402 42.059 -0.768 0.000 1.153 175 L HN 0.538 nan 8.230 nan 0.000 0.490 176 A N 3.132 125.657 122.820 -0.491 0.000 2.422 176 A HA -0.196 3.705 4.320 -0.698 0.000 0.299 176 A C 0.964 178.520 177.584 -0.046 0.000 0.872 176 A CA 0.513 52.441 52.037 -0.182 0.000 1.207 176 A CB -0.735 18.192 19.000 -0.122 0.000 0.708 176 A HN 0.915 nan 8.150 nan 0.000 0.356 177 R N 1.959 122.429 120.500 -0.050 0.000 2.485 177 R HA 0.055 3.976 4.340 -0.698 0.000 0.304 177 R C -0.828 175.537 176.300 0.110 0.000 0.934 177 R CA 0.839 56.905 56.100 -0.056 0.000 1.102 177 R CB 0.133 30.206 30.300 -0.379 0.000 0.906 177 R HN 0.728 nan 8.270 nan 0.000 0.407 178 D N 3.025 123.473 120.400 0.079 0.000 2.350 178 D HA 0.213 4.434 4.640 -0.698 0.000 0.245 178 D C -0.612 175.727 176.300 0.065 0.000 1.036 178 D CA -0.540 53.508 54.000 0.079 0.000 0.848 178 D CB 1.854 42.696 40.800 0.070 0.000 1.307 178 D HN 0.400 nan 8.370 nan 0.000 0.469 179 Q N 0.599 120.412 119.800 0.021 0.000 2.214 179 Q HA 0.448 4.370 4.340 -0.698 0.000 0.251 179 Q C -0.194 175.811 176.000 0.009 0.000 0.936 179 Q CA -0.541 55.245 55.803 -0.029 0.000 0.894 179 Q CB 1.611 30.212 28.738 -0.228 0.000 1.252 179 Q HN 0.334 nan 8.270 nan 0.000 0.448 180 I N 2.033 122.592 120.570 -0.019 0.000 2.395 180 I HA 0.155 3.906 4.170 -0.698 0.000 0.289 180 I C -0.082 176.005 176.117 -0.051 0.000 1.023 180 I CA -0.403 60.871 61.300 -0.043 0.000 1.350 180 I CB 0.650 38.594 38.000 -0.093 0.000 1.409 180 I HN 0.571 nan 8.210 nan 0.000 0.507 181 N N 4.997 123.679 118.700 -0.029 0.000 2.609 181 N HA 0.360 4.682 4.740 -0.698 0.000 0.234 181 N C 0.605 176.102 175.510 -0.021 0.000 1.001 181 N CA -0.322 52.720 53.050 -0.015 0.000 0.926 181 N CB 1.253 39.745 38.487 0.008 0.000 1.130 181 N HN 0.653 nan 8.380 nan 0.000 0.510 182 A N 2.308 125.090 122.820 -0.063 0.000 2.248 182 A HA 0.047 3.949 4.320 -0.698 0.000 0.210 182 A C 0.758 178.377 177.584 0.058 0.000 1.174 182 A CA 0.928 52.940 52.037 -0.042 0.000 0.750 182 A CB -0.473 18.434 19.000 -0.154 0.000 0.780 182 A HN 0.513 nan 8.150 nan 0.000 0.478 183 V N -3.222 116.746 119.914 0.090 0.000 2.960 183 V HA 0.730 4.431 4.120 -0.698 0.000 0.315 183 V C 0.153 176.297 176.094 0.084 0.000 1.087 183 V CA -0.265 62.101 62.300 0.110 0.000 0.982 183 V CB 1.046 32.955 31.823 0.143 0.000 1.039 183 V HN 0.424 nan 8.190 nan 0.000 0.437 184 T N 0.551 115.170 114.554 0.108 0.000 2.856 184 T HA 0.242 4.173 4.350 -0.698 0.000 0.306 184 T C 0.895 175.614 174.700 0.031 0.000 1.062 184 T CA 0.447 62.614 62.100 0.113 0.000 1.083 184 T CB 0.956 69.969 68.868 0.241 0.000 0.984 184 T HN 0.908 nan 8.240 nan 0.000 0.542 185 S N 0.303 115.899 115.700 -0.174 0.000 2.524 185 S HA 0.245 4.297 4.470 -0.698 0.000 0.216 185 S C 0.058 174.472 174.600 -0.309 0.000 0.987 185 S CA -0.311 57.701 58.200 -0.313 0.000 0.909 185 S CB -0.354 62.567 63.200 -0.465 0.000 0.781 185 S HN 0.635 nan 8.310 nan 0.000 0.521 186 F N 1.382 121.412 119.950 0.134 0.000 2.389 186 F HA 0.317 4.427 4.527 -0.696 0.000 0.337 186 F C 0.612 176.542 175.800 0.216 0.000 1.112 186 F CA -0.993 57.120 58.000 0.188 0.000 1.192 186 F CB 0.365 39.474 39.000 0.182 0.000 1.185 186 F HN -0.050 nan 8.300 nan 0.000 0.552 187 L N 3.567 125.072 121.223 0.470 0.000 2.505 187 L HA 0.079 4.000 4.340 -0.698 0.000 0.279 187 L C -0.357 176.721 176.870 0.347 0.000 1.211 187 L CA 0.193 55.281 54.840 0.413 0.000 1.059 187 L CB -0.701 41.680 42.059 0.536 0.000 1.340 187 L HN 0.768 nan 8.230 nan 0.000 0.447 188 D N 2.014 122.590 120.400 0.294 0.000 2.740 188 D HA 0.180 4.401 4.640 -0.698 0.000 0.301 188 D C 0.544 176.983 176.300 0.232 0.000 1.408 188 D CA 0.035 54.179 54.000 0.240 0.000 0.808 188 D CB 0.495 41.421 40.800 0.210 0.000 1.128 188 D HN 0.324 nan 8.370 nan 0.000 0.465 189 A N 0.621 123.581 122.820 0.233 0.000 2.519 189 A HA -0.158 3.744 4.320 -0.698 0.000 0.297 189 A C 1.482 179.223 177.584 0.262 0.000 1.472 189 A CA 1.047 53.227 52.037 0.238 0.000 0.739 189 A CB -2.302 16.896 19.000 0.331 0.000 1.096 189 A HN 0.751 nan 8.150 nan 0.000 0.414 190 S N -0.302 115.516 115.700 0.195 0.000 2.492 190 S HA 0.110 4.161 4.470 -0.698 0.000 0.218 190 S C 1.731 176.408 174.600 0.128 0.000 1.016 190 S CA 0.564 58.876 58.200 0.186 0.000 0.916 190 S CB -0.588 62.713 63.200 0.170 0.000 0.791 190 S HN 1.575 nan 8.310 nan 0.000 0.513 191 L N -0.104 121.184 121.223 0.109 0.000 2.353 191 L HA 0.098 4.019 4.340 -0.698 0.000 0.220 191 L C 1.821 178.783 176.870 0.153 0.000 1.133 191 L CA 0.816 55.737 54.840 0.135 0.000 0.798 191 L CB -0.804 41.325 42.059 0.117 0.000 0.922 191 L HN 0.186 nan 8.230 nan 0.000 0.445 192 V N -0.847 119.077 119.914 0.016 0.000 2.581 192 V HA -0.078 3.624 4.120 -0.698 0.000 0.240 192 V C 1.630 177.512 176.094 -0.353 0.000 1.054 192 V CA 0.982 63.158 62.300 -0.207 0.000 1.076 192 V CB -0.408 31.147 31.823 -0.447 0.000 0.748 192 V HN 0.338 nan 8.190 nan 0.000 0.474 193 Y N 0.898 121.222 120.300 0.040 0.000 2.468 193 Y HA 0.564 4.696 4.550 -0.696 0.000 0.268 193 Y C 1.326 177.260 175.900 0.058 0.000 1.177 193 Y CA 0.324 58.448 58.100 0.040 0.000 1.265 193 Y CB -0.010 38.465 38.460 0.025 0.000 1.103 193 Y HN 0.330 nan 8.280 nan 0.000 0.522 194 G N -0.027 108.858 108.800 0.142 0.000 2.755 194 G HA2 -0.211 3.330 3.960 -0.698 0.000 0.686 194 G HA3 -0.211 3.330 3.960 -0.698 0.000 0.686 194 G C 0.429 175.405 174.900 0.126 0.000 1.427 194 G CA -0.048 45.120 45.100 0.113 0.000 0.873 194 G HN 0.167 nan 8.290 nan 0.000 0.580 195 S N 0.298 116.059 115.700 0.102 0.000 2.506 195 S HA 0.202 4.253 4.470 -0.698 0.000 0.219 195 S C 0.742 175.388 174.600 0.075 0.000 1.031 195 S CA 0.833 59.091 58.200 0.098 0.000 0.911 195 S CB 0.286 63.546 63.200 0.099 0.000 0.812 195 S HN 0.626 nan 8.310 nan 0.000 0.497 196 E N 1.400 121.637 120.200 0.062 0.000 2.191 196 E HA 0.241 4.172 4.350 -0.698 0.000 0.278 196 E C -2.063 174.562 176.600 0.042 0.000 0.972 196 E CA -2.275 54.150 56.400 0.043 0.000 0.804 196 E CB 1.282 30.999 29.700 0.028 0.000 1.110 196 E HN -0.077 nan 8.360 nan 0.000 0.394 197 P HA -0.255 nan 4.420 nan 0.000 0.216 197 P C 1.176 178.486 177.300 0.017 0.000 1.153 197 P CA 1.478 64.594 63.100 0.028 0.000 0.858 197 P CB 0.178 31.889 31.700 0.019 0.000 0.789 198 S N 0.122 115.829 115.700 0.011 0.000 2.369 198 S HA -0.237 3.814 4.470 -0.698 0.000 0.225 198 S C 1.908 176.511 174.600 0.005 0.000 1.043 198 S CA 1.668 59.870 58.200 0.003 0.000 1.074 198 S CB -1.770 61.431 63.200 0.001 0.000 0.962 198 S HN 0.063 nan 8.310 nan 0.000 0.433 199 L N 2.259 123.490 121.223 0.014 0.000 2.093 199 L HA 0.222 4.143 4.340 -0.698 0.000 0.208 199 L C 2.580 179.464 176.870 0.023 0.000 1.085 199 L CA 1.603 56.453 54.840 0.017 0.000 0.755 199 L CB -1.218 40.856 42.059 0.025 0.000 0.904 199 L HN 0.345 nan 8.230 nan 0.000 0.435 200 A N -1.530 121.315 122.820 0.042 0.000 2.024 200 A HA -0.212 3.689 4.320 -0.698 0.000 0.220 200 A C 2.504 180.095 177.584 0.012 0.000 1.164 200 A CA 1.855 53.934 52.037 0.071 0.000 0.643 200 A CB -0.900 18.166 19.000 0.109 0.000 0.806 200 A HN 0.565 nan 8.150 nan 0.000 0.451 201 S N -0.742 114.944 115.700 -0.024 0.000 2.348 201 S HA -0.131 3.920 4.470 -0.698 0.000 0.219 201 S C 2.180 176.747 174.600 -0.056 0.000 1.033 201 S CA 1.038 59.196 58.200 -0.070 0.000 0.974 201 S CB -0.403 62.763 63.200 -0.055 0.000 0.868 201 S HN 0.600 nan 8.310 nan 0.000 0.459 202 R N 0.438 120.921 120.500 -0.029 0.000 2.185 202 R HA -0.061 3.860 4.340 -0.698 0.000 0.247 202 R C 1.821 178.106 176.300 -0.025 0.000 1.159 202 R CA 1.390 57.477 56.100 -0.022 0.000 0.988 202 R CB -0.410 29.884 30.300 -0.009 0.000 0.871 202 R HN 0.481 nan 8.270 nan 0.000 0.458 203 L N 0.181 121.389 121.223 -0.025 0.000 2.492 203 L HA 0.050 3.971 4.340 -0.698 0.000 0.223 203 L C 0.618 177.464 176.870 -0.039 0.000 1.132 203 L CA 0.389 55.211 54.840 -0.030 0.000 0.850 203 L CB -0.070 41.977 42.059 -0.021 0.000 0.966 203 L HN 0.034 nan 8.230 nan 0.000 0.454 204 R N 0.562 121.026 120.500 -0.061 0.000 2.486 204 R HA 0.181 4.102 4.340 -0.698 0.000 0.286 204 R C 0.017 176.287 176.300 -0.050 0.000 0.999 204 R CA -0.680 55.372 56.100 -0.080 0.000 0.993 204 R CB 0.621 30.797 30.300 -0.207 0.000 1.084 204 R HN -0.143 nan 8.270 nan 0.000 0.487 205 N N 3.329 122.017 118.700 -0.019 0.000 2.663 205 N HA 0.046 4.368 4.740 -0.698 0.000 0.250 205 N C -0.084 175.420 175.510 -0.010 0.000 1.129 205 N CA 0.013 53.063 53.050 0.000 0.000 0.995 205 N CB 0.359 38.864 38.487 0.030 0.000 1.324 205 N HN 0.554 nan 8.380 nan 0.000 0.512 206 L N 1.118 122.326 121.223 -0.026 0.000 2.688 206 L HA 0.144 4.065 4.340 -0.698 0.000 0.234 206 L C 1.347 178.211 176.870 -0.009 0.000 1.192 206 L CA -0.035 54.787 54.840 -0.030 0.000 0.984 206 L CB -0.035 41.994 42.059 -0.049 0.000 1.232 206 L HN 0.292 nan 8.230 nan 0.000 0.465 207 S N -0.618 115.084 115.700 0.004 0.000 2.558 207 S HA 0.070 4.122 4.470 -0.698 0.000 0.217 207 S C 0.688 175.299 174.600 0.018 0.000 0.975 207 S CA 0.133 58.340 58.200 0.012 0.000 0.912 207 S CB 0.150 63.361 63.200 0.018 0.000 0.776 207 S HN 0.598 nan 8.310 nan 0.000 0.526 208 S N 0.796 116.508 115.700 0.020 0.000 2.537 208 S HA 0.439 4.490 4.470 -0.698 0.000 0.270 208 S C -3.221 171.398 174.600 0.031 0.000 1.142 208 S CA -1.221 56.996 58.200 0.027 0.000 0.870 208 S CB 1.648 64.868 63.200 0.034 0.000 1.112 208 S HN -0.047 nan 8.310 nan 0.000 0.466 209 P HA 0.268 nan 4.420 nan 0.000 0.237 209 P C 0.006 177.343 177.300 0.062 0.000 1.723 209 P CA -0.117 63.010 63.100 0.046 0.000 0.882 209 P CB -0.602 31.127 31.700 0.048 0.000 1.810 210 L N -1.791 119.471 121.223 0.064 0.000 2.766 210 L HA 0.352 4.274 4.340 -0.698 0.000 0.242 210 L C 1.399 178.332 176.870 0.106 0.000 1.136 210 L CA 0.151 55.038 54.840 0.078 0.000 0.933 210 L CB -0.361 41.737 42.059 0.064 0.000 1.241 210 L HN 0.135 nan 8.230 nan 0.000 0.522 211 G N 1.737 110.608 108.800 0.119 0.000 2.283 211 G HA2 -0.275 3.267 3.960 -0.698 0.000 0.280 211 G HA3 -0.275 3.267 3.960 -0.698 0.000 0.280 211 G C 0.094 175.179 174.900 0.308 0.000 1.029 211 G CA 0.217 45.439 45.100 0.203 0.000 0.840 211 G HN 0.257 nan 8.290 nan 0.000 0.505 212 L N -0.165 121.185 121.223 0.212 0.000 2.357 212 L HA 0.547 4.468 4.340 -0.698 0.000 0.273 212 L C 0.989 177.981 176.870 0.203 0.000 1.080 212 L CA -1.061 53.922 54.840 0.238 0.000 0.803 212 L CB 1.078 43.217 42.059 0.134 0.000 1.174 212 L HN 0.052 nan 8.230 nan 0.000 0.443 213 M N 1.941 121.666 119.600 0.208 0.000 2.180 213 M HA 0.256 4.317 4.480 -0.698 0.000 0.358 213 M C 0.295 176.604 176.300 0.015 0.000 1.233 213 M CA -0.485 54.842 55.300 0.045 0.000 1.114 213 M CB 1.187 33.752 32.600 -0.059 0.000 1.594 213 M HN 0.674 nan 8.290 nan 0.000 0.467 214 A N 4.039 126.850 122.820 -0.015 0.000 2.567 214 A HA 0.355 4.256 4.320 -0.698 0.000 0.240 214 A C 0.238 177.784 177.584 -0.064 0.000 1.053 214 A CA -0.252 51.770 52.037 -0.025 0.000 0.755 214 A CB -0.269 18.713 19.000 -0.030 0.000 0.978 214 A HN 0.799 nan 8.150 nan 0.000 0.507 215 V N 1.161 121.032 119.914 -0.073 0.000 3.158 215 V HA 0.545 4.247 4.120 -0.698 0.000 0.315 215 V C 0.357 176.324 176.094 -0.212 0.000 1.148 215 V CA -1.483 60.717 62.300 -0.168 0.000 1.042 215 V CB 1.575 33.275 31.823 -0.206 0.000 1.101 215 V HN 0.837 nan 8.190 nan 0.000 0.448 216 N N 1.485 119.967 118.700 -0.363 0.000 2.483 216 N HA 0.103 4.425 4.740 -0.698 0.000 0.264 216 N C 0.392 175.698 175.510 -0.341 0.000 1.197 216 N CA 0.166 52.982 53.050 -0.390 0.000 0.927 216 N CB 1.392 39.572 38.487 -0.511 0.000 1.065 216 N HN 0.739 nan 8.380 nan 0.000 0.461 217 Q N 2.013 121.752 119.800 -0.102 0.000 2.352 217 Q HA 0.067 3.989 4.340 -0.698 0.000 0.212 217 Q C 0.524 176.624 176.000 0.166 0.000 0.888 217 Q CA 0.465 56.331 55.803 0.105 0.000 0.934 217 Q CB 0.478 29.285 28.738 0.116 0.000 1.093 217 Q HN 0.576 nan 8.270 nan 0.000 0.523 218 E N 0.346 120.586 120.200 0.067 0.000 2.276 218 E HA 0.218 4.149 4.350 -0.698 0.000 0.193 218 E C -0.244 176.460 176.600 0.172 0.000 0.983 218 E CA 0.395 56.892 56.400 0.162 0.000 0.861 218 E CB 0.648 30.509 29.700 0.268 0.000 0.817 218 E HN 0.192 nan 8.360 nan 0.000 0.485 219 A N -0.532 122.285 122.820 -0.005 0.000 2.515 219 A HA 0.651 4.552 4.320 -0.698 0.000 0.298 219 A C -1.773 175.634 177.584 -0.296 0.000 1.059 219 A CA -0.727 51.359 52.037 0.083 0.000 0.698 219 A CB 0.760 19.918 19.000 0.263 0.000 1.289 219 A HN 0.113 nan 8.150 nan 0.000 0.404 220 W N 0.203 121.510 121.300 0.012 0.000 2.864 220 W HA 0.584 4.827 4.660 -0.694 0.000 0.343 220 W C -0.743 175.585 176.519 -0.319 0.000 1.109 220 W CA -0.030 57.197 57.345 -0.196 0.000 1.192 220 W CB 1.918 31.303 29.460 -0.125 0.000 1.426 220 W HN 0.635 nan 8.180 nan 0.000 0.529 221 D N 1.258 121.457 120.400 -0.335 0.000 2.434 221 D HA 0.167 4.388 4.640 -0.698 0.000 0.275 221 D C -0.008 176.254 176.300 -0.064 0.000 1.172 221 D CA -0.103 53.690 54.000 -0.344 0.000 0.916 221 D CB -0.428 39.987 40.800 -0.641 0.000 1.041 221 D HN 0.523 nan 8.370 nan 0.000 0.501 222 H N 1.866 120.980 119.070 0.074 0.000 2.756 222 H HA -0.167 3.970 4.556 -0.699 0.000 0.315 222 H C 1.295 176.699 175.328 0.128 0.000 1.210 222 H CA 1.053 57.157 56.048 0.093 0.000 1.150 222 H CB -1.446 28.388 29.762 0.120 0.000 1.463 222 H HN 0.735 nan 8.280 nan 0.000 0.427 223 G N -0.854 108.047 108.800 0.169 0.000 2.245 223 G HA2 -0.347 3.195 3.960 -0.698 0.000 0.264 223 G HA3 -0.347 3.195 3.960 -0.698 0.000 0.264 223 G C 0.456 175.516 174.900 0.267 0.000 0.985 223 G CA 0.615 45.794 45.100 0.132 0.000 0.625 223 G HN 0.471 nan 8.290 nan 0.000 0.536 224 L N 0.549 121.903 121.223 0.219 0.000 2.399 224 L HA 0.768 4.689 4.340 -0.698 0.000 0.265 224 L C 1.085 177.942 176.870 -0.021 0.000 1.089 224 L CA -0.518 54.381 54.840 0.098 0.000 0.802 224 L CB 1.360 43.400 42.059 -0.032 0.000 1.180 224 L HN 0.284 nan 8.230 nan 0.000 0.454 225 A N 1.153 123.882 122.820 -0.151 0.000 2.272 225 A HA 0.591 4.492 4.320 -0.698 0.000 0.275 225 A C -1.057 176.227 177.584 -0.501 0.000 1.096 225 A CA -0.046 51.720 52.037 -0.451 0.000 0.822 225 A CB 0.437 19.252 19.000 -0.308 0.000 1.088 225 A HN 0.623 nan 8.150 nan 0.000 0.495 226 Y N -0.852 119.134 120.300 -0.524 0.000 2.605 226 Y HA 0.440 4.571 4.550 -0.698 0.000 0.343 226 Y C -2.177 173.336 175.900 -0.645 0.000 1.036 226 Y CA -2.471 55.278 58.100 -0.585 0.000 1.065 226 Y CB 2.454 40.605 38.460 -0.514 0.000 1.288 226 Y HN 0.460 nan 8.280 nan 0.000 0.481 227 P HA 0.177 nan 4.420 nan 0.000 0.277 227 P C -2.719 174.361 177.300 -0.367 0.000 1.271 227 P CA -1.375 61.426 63.100 -0.499 0.000 0.795 227 P CB 0.216 31.560 31.700 -0.593 0.000 1.101 228 P HA 0.260 nan 4.420 nan 0.000 0.279 228 P C -0.740 176.560 177.300 -0.000 0.000 1.252 228 P CA -0.305 62.695 63.100 -0.167 0.000 0.811 228 P CB 0.308 31.959 31.700 -0.081 0.000 1.035 229 F N 0.485 120.503 119.950 0.114 0.000 2.450 229 F HA 0.175 4.281 4.527 -0.700 0.000 0.339 229 F C 1.563 177.397 175.800 0.056 0.000 1.146 229 F CA -0.047 58.013 58.000 0.101 0.000 1.267 229 F CB -0.231 38.802 39.000 0.055 0.000 1.178 229 F HN 0.235 nan 8.300 nan 0.000 0.585 230 N N 2.771 121.637 118.700 0.277 0.000 2.719 230 N HA -0.006 4.316 4.740 -0.698 0.000 0.243 230 N C -0.084 175.486 175.510 0.101 0.000 1.104 230 N CA -0.025 53.107 53.050 0.137 0.000 0.981 230 N CB -0.516 38.029 38.487 0.097 0.000 1.290 230 N HN 0.381 nan 8.380 nan 0.000 0.513 231 N N 1.941 120.702 118.700 0.101 0.000 2.585 231 N HA -0.024 4.297 4.740 -0.698 0.000 0.213 231 N C -0.545 174.979 175.510 0.023 0.000 1.385 231 N CA 0.248 53.334 53.050 0.058 0.000 0.871 231 N CB 0.145 38.675 38.487 0.071 0.000 1.154 231 N HN 0.290 nan 8.380 nan 0.000 0.474 232 V N 1.094 121.017 119.914 0.015 0.000 2.383 232 V HA 0.174 3.876 4.120 -0.698 0.000 0.275 232 V C 0.451 176.537 176.094 -0.014 0.000 1.036 232 V CA -0.462 61.837 62.300 -0.002 0.000 0.889 232 V CB 1.330 33.150 31.823 -0.006 0.000 0.985 232 V HN 0.008 nan 8.190 nan 0.000 0.459 233 K N 5.468 125.859 120.400 -0.015 0.000 2.156 233 K HA 0.595 4.496 4.320 -0.698 0.000 0.254 233 K C -2.239 174.346 176.600 -0.025 0.000 0.950 233 K CA -1.519 54.758 56.287 -0.017 0.000 0.849 233 K CB 1.501 33.996 32.500 -0.008 0.000 1.100 233 K HN 0.549 nan 8.250 nan 0.000 0.434 234 P HA 0.068 nan 4.420 nan 0.000 0.280 234 P C -0.907 176.370 177.300 -0.039 0.000 1.244 234 P CA -0.411 62.674 63.100 -0.024 0.000 0.784 234 P CB 1.363 33.046 31.700 -0.028 0.000 0.913 235 S N 2.807 118.496 115.700 -0.018 0.000 2.509 235 S HA 0.496 4.547 4.470 -0.698 0.000 0.297 235 S C -1.816 172.783 174.600 -0.003 0.000 1.118 235 S CA -1.442 56.742 58.200 -0.028 0.000 1.074 235 S CB 1.367 64.552 63.200 -0.026 0.000 1.038 235 S HN 0.129 nan 8.310 nan 0.000 0.498 236 P HA 0.030 nan 4.420 nan 0.000 0.213 236 P C 1.392 178.759 177.300 0.112 0.000 1.170 236 P CA 1.030 64.114 63.100 -0.028 0.000 0.889 236 P CB -0.188 31.274 31.700 -0.398 0.000 0.782 237 c N -0.190 118.466 118.600 0.094 0.000 2.392 237 c HA -0.190 3.961 4.570 -0.698 0.000 0.276 237 c C 2.511 176.644 174.090 0.070 0.000 1.212 237 c CA 1.060 57.459 56.329 0.117 0.000 1.791 237 c CB -1.721 40.821 42.510 0.053 0.000 2.063 237 c HN 0.379 nan 8.230 nan 0.000 0.481 238 E N -0.487 119.735 120.200 0.036 0.000 2.046 238 E HA -0.168 3.764 4.350 -0.698 0.000 0.190 238 E C 1.869 178.476 176.600 0.012 0.000 0.982 238 E CA 1.070 57.462 56.400 -0.014 0.000 0.800 238 E CB -0.365 29.324 29.700 -0.017 0.000 0.756 238 E HN 0.737 nan 8.360 nan 0.000 0.449 239 F N 2.258 122.188 119.950 -0.034 0.000 2.154 239 F HA -0.232 3.876 4.527 -0.699 0.000 0.301 239 F C 2.104 177.899 175.800 -0.008 0.000 1.087 239 F CA 1.606 59.606 58.000 0.001 0.000 1.274 239 F CB -0.177 38.875 39.000 0.086 0.000 1.009 239 F HN 0.021 nan 8.300 nan 0.000 0.485 240 I N -1.388 119.172 120.570 -0.017 0.000 2.676 240 I HA -0.060 3.691 4.170 -0.698 0.000 0.259 240 I C 0.418 176.432 176.117 -0.173 0.000 1.194 240 I CA 1.204 62.430 61.300 -0.123 0.000 1.473 240 I CB -0.571 37.429 38.000 -0.001 0.000 1.096 240 I HN 0.199 nan 8.210 nan 0.000 0.443 241 N N 0.348 118.920 118.700 -0.213 0.000 2.710 241 N HA 0.133 4.455 4.740 -0.698 0.000 0.244 241 N C 0.439 175.705 175.510 -0.407 0.000 1.321 241 N CA 0.142 52.971 53.050 -0.368 0.000 0.758 241 N CB 0.806 38.895 38.487 -0.664 0.000 1.284 241 N HN 0.065 nan 8.380 nan 0.000 0.530 242 T N 0.131 114.453 114.554 -0.387 0.000 2.653 242 T HA -0.159 3.773 4.350 -0.698 0.000 0.268 242 T C 1.524 175.863 174.700 -0.601 0.000 1.035 242 T CA 2.264 64.121 62.100 -0.406 0.000 1.154 242 T CB -0.103 68.585 68.868 -0.301 0.000 0.862 242 T HN 0.436 nan 8.240 nan 0.000 0.441 243 T N 1.738 116.010 114.554 -0.470 0.000 2.746 243 T HA 0.026 3.958 4.350 -0.698 0.000 0.267 243 T C 2.425 176.877 174.700 -0.413 0.000 1.039 243 T CA 1.096 62.956 62.100 -0.400 0.000 1.142 243 T CB -0.549 68.149 68.868 -0.283 0.000 0.866 243 T HN 0.475 nan 8.240 nan 0.000 0.444 244 A N 0.644 123.180 122.820 -0.472 0.000 1.877 244 A HA -0.141 3.760 4.320 -0.698 0.000 0.216 244 A C 1.089 178.593 177.584 -0.132 0.000 1.186 244 A CA 1.619 53.459 52.037 -0.327 0.000 0.620 244 A CB -0.521 18.184 19.000 -0.490 0.000 0.822 244 A HN 0.715 nan 8.150 nan 0.000 0.443 245 H N -2.995 115.973 119.070 -0.169 0.000 3.132 245 H HA -0.122 4.015 4.556 -0.698 0.000 0.237 245 H C -0.584 174.624 175.328 -0.200 0.000 1.189 245 H CA 0.664 56.622 56.048 -0.150 0.000 1.129 245 H CB -2.294 27.394 29.762 -0.122 0.000 1.225 245 H HN 0.307 nan 8.280 nan 0.000 0.323 246 V N 2.452 122.297 119.914 -0.116 0.000 2.348 246 V HA 0.226 3.928 4.120 -0.698 0.000 0.270 246 V C -1.674 174.239 176.094 -0.301 0.000 1.037 246 V CA -1.098 61.059 62.300 -0.240 0.000 0.872 246 V CB 1.460 33.256 31.823 -0.046 0.000 1.002 246 V HN -0.014 nan 8.190 nan 0.000 0.464 247 P HA 0.235 nan 4.420 nan 0.000 0.275 247 P C -0.192 176.979 177.300 -0.215 0.000 1.266 247 P CA -0.535 62.353 63.100 -0.352 0.000 0.793 247 P CB 0.491 31.946 31.700 -0.409 0.000 1.074 248 c N 0.008 118.571 118.600 -0.062 0.000 2.595 248 c HA 0.317 4.468 4.570 -0.698 0.000 0.384 248 c C 0.706 174.858 174.090 0.102 0.000 1.289 248 c CA -0.007 56.312 56.329 -0.016 0.000 2.372 248 c CB -1.182 41.377 42.510 0.082 0.000 2.593 248 c HN 0.367 nan 8.230 nan 0.000 0.639 249 F N 0.915 120.940 119.950 0.125 0.000 2.399 249 F HA 0.371 4.475 4.527 -0.704 0.000 0.313 249 F C 0.565 176.361 175.800 -0.007 0.000 1.202 249 F CA -0.272 57.755 58.000 0.045 0.000 1.192 249 F CB 0.363 39.328 39.000 -0.059 0.000 1.256 249 F HN 0.493 nan 8.300 nan 0.000 0.558 250 Q N 1.231 121.139 119.800 0.180 0.000 2.309 250 Q HA 0.686 4.607 4.340 -0.698 0.000 0.270 250 Q C -1.577 174.385 176.000 -0.063 0.000 1.023 250 Q CA -0.546 55.283 55.803 0.043 0.000 0.758 250 Q CB 1.577 30.347 28.738 0.054 0.000 1.247 250 Q HN 0.823 nan 8.270 nan 0.000 0.455 251 A N 2.120 124.864 122.820 -0.126 0.000 2.475 251 A HA 0.746 4.648 4.320 -0.698 0.000 0.281 251 A C 0.694 178.217 177.584 -0.101 0.000 1.263 251 A CA -0.128 51.801 52.037 -0.181 0.000 0.776 251 A CB 0.683 19.430 19.000 -0.422 0.000 1.347 251 A HN 0.824 nan 8.150 nan 0.000 0.443 252 G N -0.987 107.773 108.800 -0.066 0.000 2.535 252 G HA2 0.161 3.703 3.960 -0.698 0.000 0.218 252 G HA3 0.161 3.703 3.960 -0.698 0.000 0.218 252 G C 0.061 174.971 174.900 0.016 0.000 1.122 252 G CA 1.482 46.582 45.100 0.000 0.000 0.769 252 G HN 0.798 nan 8.290 nan 0.000 0.549 253 D N -1.444 118.946 120.400 -0.017 0.000 2.696 253 D HA 0.363 4.585 4.640 -0.698 0.000 0.251 253 D C 1.505 177.741 176.300 -0.108 0.000 1.188 253 D CA -0.044 53.931 54.000 -0.041 0.000 0.876 253 D CB 1.425 42.222 40.800 -0.005 0.000 1.334 253 D HN -0.049 nan 8.370 nan 0.000 0.540 254 S N 3.334 118.967 115.700 -0.112 0.000 2.440 254 S HA -0.214 3.837 4.470 -0.698 0.000 0.238 254 S C 1.434 175.954 174.600 -0.134 0.000 1.010 254 S CA 0.588 58.732 58.200 -0.093 0.000 0.972 254 S CB -0.159 63.036 63.200 -0.008 0.000 0.774 254 S HN 0.518 nan 8.310 nan 0.000 0.501 255 R N 1.414 121.739 120.500 -0.291 0.000 2.319 255 R HA 0.478 4.399 4.340 -0.698 0.000 0.204 255 R C 2.092 178.390 176.300 -0.004 0.000 0.954 255 R CA 0.566 56.545 56.100 -0.202 0.000 1.066 255 R CB -0.843 29.177 30.300 -0.468 0.000 0.991 255 R HN 0.505 nan 8.270 nan 0.000 0.486 256 A N 0.251 123.069 122.820 -0.005 0.000 2.032 256 A HA -0.166 3.735 4.320 -0.698 0.000 0.221 256 A C 1.583 179.212 177.584 0.074 0.000 1.165 256 A CA 1.812 53.852 52.037 0.006 0.000 0.645 256 A CB -0.145 18.609 19.000 -0.410 0.000 0.807 256 A HN 0.264 nan 8.150 nan 0.000 0.453 257 S N -1.101 114.635 115.700 0.060 0.000 2.593 257 S HA 0.086 4.137 4.470 -0.698 0.000 0.236 257 S C 1.379 175.813 174.600 -0.276 0.000 0.991 257 S CA 0.009 58.225 58.200 0.027 0.000 0.963 257 S CB 0.218 63.499 63.200 0.135 0.000 0.865 257 S HN 0.612 nan 8.310 nan 0.000 0.488 258 E N 2.272 122.220 120.200 -0.421 0.000 2.130 258 E HA -0.196 3.735 4.350 -0.698 0.000 0.196 258 E C 0.489 176.707 176.600 -0.636 0.000 0.998 258 E CA 1.420 57.246 56.400 -0.957 0.000 0.806 258 E CB 0.169 29.642 29.700 -0.379 0.000 0.738 258 E HN 0.769 nan 8.360 nan 0.000 0.459 259 Q N -1.902 117.749 119.800 -0.249 0.000 2.462 259 Q HA 0.268 4.189 4.340 -0.698 0.000 0.285 259 Q C 0.709 176.667 176.000 -0.070 0.000 1.035 259 Q CA -0.636 55.122 55.803 -0.075 0.000 0.799 259 Q CB 0.615 29.389 28.738 0.059 0.000 1.452 259 Q HN -0.151 nan 8.270 nan 0.000 0.404 260 I N 0.740 121.261 120.570 -0.082 0.000 2.163 260 I HA -0.186 3.565 4.170 -0.698 0.000 0.243 260 I C 1.293 177.398 176.117 -0.021 0.000 1.085 260 I CA 1.484 62.739 61.300 -0.075 0.000 1.347 260 I CB -0.414 37.504 38.000 -0.136 0.000 1.044 260 I HN 0.850 nan 8.210 nan 0.000 0.408 261 L N 0.062 121.274 121.223 -0.018 0.000 2.131 261 L HA -0.193 3.728 4.340 -0.698 0.000 0.210 261 L C 2.386 179.273 176.870 0.028 0.000 1.092 261 L CA 1.365 56.211 54.840 0.011 0.000 0.759 261 L CB -1.816 40.249 42.059 0.011 0.000 0.903 261 L HN 0.272 nan 8.230 nan 0.000 0.435 262 L N -0.081 121.149 121.223 0.011 0.000 2.093 262 L HA -0.053 3.868 4.340 -0.698 0.000 0.208 262 L C 2.490 179.437 176.870 0.128 0.000 1.085 262 L CA 1.922 56.774 54.840 0.019 0.000 0.755 262 L CB -0.908 41.144 42.059 -0.012 0.000 0.904 262 L HN 0.156 nan 8.230 nan 0.000 0.435 263 A N -1.375 121.539 122.820 0.157 0.000 1.933 263 A HA -0.179 3.722 4.320 -0.698 0.000 0.218 263 A C 2.216 179.917 177.584 0.195 0.000 1.175 263 A CA 2.149 54.337 52.037 0.251 0.000 0.628 263 A CB -1.188 17.999 19.000 0.311 0.000 0.814 263 A HN 0.526 nan 8.150 nan 0.000 0.444 264 T N -0.193 114.444 114.554 0.137 0.000 2.622 264 T HA -0.149 3.782 4.350 -0.698 0.000 0.266 264 T C 1.814 176.581 174.700 0.111 0.000 1.047 264 T CA 1.821 63.987 62.100 0.109 0.000 1.159 264 T CB -0.547 68.373 68.868 0.086 0.000 0.863 264 T HN 0.152 nan 8.240 nan 0.000 0.422 265 V N 1.069 121.060 119.914 0.128 0.000 2.759 265 V HA -0.146 3.555 4.120 -0.698 0.000 0.256 265 V C 2.366 178.512 176.094 0.087 0.000 1.080 265 V CA 1.334 63.734 62.300 0.166 0.000 1.101 265 V CB -0.751 31.208 31.823 0.226 0.000 0.698 265 V HN 0.562 nan 8.190 nan 0.000 0.477 266 H N 0.336 119.425 119.070 0.032 0.000 2.389 266 H HA -0.084 4.056 4.556 -0.693 0.000 0.299 266 H C 2.451 177.728 175.328 -0.085 0.000 1.081 266 H CA 1.965 57.998 56.048 -0.026 0.000 1.345 266 H CB -0.076 29.667 29.762 -0.033 0.000 1.393 266 H HN 0.413 nan 8.280 nan 0.000 0.520 267 T N 1.257 115.831 114.554 0.033 0.000 2.701 267 T HA -0.098 3.833 4.350 -0.698 0.000 0.263 267 T C 2.204 176.870 174.700 -0.056 0.000 1.040 267 T CA 0.547 62.602 62.100 -0.075 0.000 1.147 267 T CB -0.303 68.528 68.868 -0.062 0.000 0.865 267 T HN 0.040 nan 8.240 nan 0.000 0.426 268 L N 0.933 122.141 121.223 -0.024 0.000 2.081 268 L HA -0.038 3.884 4.340 -0.698 0.000 0.212 268 L C 2.266 179.087 176.870 -0.082 0.000 1.080 268 L CA 1.411 56.210 54.840 -0.069 0.000 0.754 268 L CB -1.026 40.998 42.059 -0.058 0.000 0.893 268 L HN 0.299 nan 8.230 nan 0.000 0.433 269 L N -2.052 119.157 121.223 -0.024 0.000 2.044 269 L HA -0.189 3.732 4.340 -0.698 0.000 0.205 269 L C 2.433 179.268 176.870 -0.058 0.000 1.075 269 L CA 0.634 55.456 54.840 -0.030 0.000 0.747 269 L CB -0.579 41.490 42.059 0.016 0.000 0.903 269 L HN 0.243 nan 8.230 nan 0.000 0.435 270 L N 0.118 121.300 121.223 -0.067 0.000 2.079 270 L HA -0.210 3.712 4.340 -0.698 0.000 0.210 270 L C 2.773 179.618 176.870 -0.042 0.000 1.081 270 L CA 1.694 56.484 54.840 -0.083 0.000 0.752 270 L CB -0.455 41.528 42.059 -0.127 0.000 0.896 270 L HN 0.093 nan 8.230 nan 0.000 0.433 271 R N -0.742 119.711 120.500 -0.077 0.000 2.081 271 R HA -0.193 3.729 4.340 -0.698 0.000 0.235 271 R C 2.199 178.445 176.300 -0.090 0.000 1.131 271 R CA 1.404 57.452 56.100 -0.086 0.000 0.960 271 R CB -0.378 29.851 30.300 -0.118 0.000 0.856 271 R HN 0.345 nan 8.270 nan 0.000 0.436 272 E N 0.249 120.376 120.200 -0.122 0.000 2.150 272 E HA -0.203 3.729 4.350 -0.698 0.000 0.193 272 E C 1.677 178.206 176.600 -0.118 0.000 0.985 272 E CA 1.486 57.781 56.400 -0.175 0.000 0.814 272 E CB -0.161 29.367 29.700 -0.285 0.000 0.752 272 E HN 0.415 nan 8.360 nan 0.000 0.466 273 H N 0.164 119.181 119.070 -0.089 0.000 2.270 273 H HA -0.044 4.093 4.556 -0.698 0.000 0.299 273 H C 1.649 176.971 175.328 -0.011 0.000 1.077 273 H CA 2.360 58.402 56.048 -0.009 0.000 1.294 273 H CB -0.203 29.592 29.762 0.054 0.000 1.371 273 H HN 0.121 nan 8.280 nan 0.000 0.491 274 N N 0.353 119.053 118.700 -0.001 0.000 2.223 274 N HA -0.148 4.174 4.740 -0.698 0.000 0.185 274 N C 2.035 177.482 175.510 -0.105 0.000 1.016 274 N CA 1.080 54.114 53.050 -0.028 0.000 0.863 274 N CB -0.381 38.144 38.487 0.063 0.000 0.983 274 N HN 0.441 nan 8.380 nan 0.000 0.429 275 R N 0.219 120.647 120.500 -0.119 0.000 2.092 275 R HA -0.033 3.888 4.340 -0.698 0.000 0.231 275 R C 1.584 177.787 176.300 -0.162 0.000 1.119 275 R CA 0.756 56.779 56.100 -0.128 0.000 0.970 275 R CB -0.076 30.139 30.300 -0.142 0.000 0.864 275 R HN 0.030 nan 8.270 nan 0.000 0.440 276 L N 0.633 121.726 121.223 -0.216 0.000 2.005 276 L HA -0.026 3.896 4.340 -0.698 0.000 0.207 276 L C 2.494 179.235 176.870 -0.215 0.000 1.072 276 L CA 2.056 56.748 54.840 -0.247 0.000 0.744 276 L CB -1.194 40.690 42.059 -0.292 0.000 0.895 276 L HN 0.237 nan 8.230 nan 0.000 0.433 277 A N -0.922 121.744 122.820 -0.257 0.000 2.024 277 A HA -0.224 3.678 4.320 -0.698 0.000 0.220 277 A C 2.453 179.994 177.584 -0.071 0.000 1.164 277 A CA 1.623 53.563 52.037 -0.161 0.000 0.643 277 A CB -0.426 18.459 19.000 -0.193 0.000 0.806 277 A HN 0.404 nan 8.150 nan 0.000 0.451 278 R N -1.117 119.333 120.500 -0.083 0.000 2.080 278 R HA -0.007 3.914 4.340 -0.698 0.000 0.222 278 R C 1.874 178.134 176.300 -0.066 0.000 1.107 278 R CA 0.856 56.924 56.100 -0.053 0.000 0.980 278 R CB -0.218 30.054 30.300 -0.047 0.000 0.879 278 R HN 0.364 nan 8.270 nan 0.000 0.439 279 E N 1.093 121.237 120.200 -0.094 0.000 2.209 279 E HA -0.144 3.787 4.350 -0.698 0.000 0.196 279 E C 1.928 178.467 176.600 -0.103 0.000 0.993 279 E CA 1.023 57.364 56.400 -0.098 0.000 0.819 279 E CB 0.006 29.632 29.700 -0.124 0.000 0.745 279 E HN 0.342 nan 8.360 nan 0.000 0.477 280 L N -0.002 121.161 121.223 -0.100 0.000 2.341 280 L HA -0.040 3.881 4.340 -0.698 0.000 0.214 280 L C 2.160 178.940 176.870 -0.150 0.000 1.115 280 L CA 0.636 55.410 54.840 -0.111 0.000 0.820 280 L CB -0.068 42.005 42.059 0.024 0.000 0.944 280 L HN -0.049 nan 8.230 nan 0.000 0.452 281 K N 0.199 120.558 120.400 -0.067 0.000 2.393 281 K HA 0.030 3.931 4.320 -0.698 0.000 0.193 281 K C 1.978 178.538 176.600 -0.068 0.000 1.026 281 K CA 0.679 56.936 56.287 -0.050 0.000 1.064 281 K CB 0.131 32.640 32.500 0.015 0.000 0.833 281 K HN 0.038 nan 8.250 nan 0.000 0.521 282 R N -0.477 119.977 120.500 -0.077 0.000 2.112 282 R HA 0.186 4.108 4.340 -0.698 0.000 0.216 282 R C 1.814 178.066 176.300 -0.080 0.000 1.080 282 R CA 0.822 56.885 56.100 -0.060 0.000 0.996 282 R CB -0.037 30.232 30.300 -0.052 0.000 0.902 282 R HN 0.175 nan 8.270 nan 0.000 0.449 283 L N 0.468 121.617 121.223 -0.123 0.000 2.068 283 L HA -0.037 3.885 4.340 -0.698 0.000 0.204 283 L C 0.208 176.949 176.870 -0.215 0.000 1.076 283 L CA 0.844 55.598 54.840 -0.143 0.000 0.753 283 L CB -0.002 41.968 42.059 -0.147 0.000 0.910 283 L HN 0.122 nan 8.230 nan 0.000 0.439 284 N N -0.134 118.319 118.700 -0.412 0.000 2.976 284 N HA 0.183 4.504 4.740 -0.698 0.000 0.255 284 N C -2.100 173.173 175.510 -0.396 0.000 1.312 284 N CA -1.107 51.556 53.050 -0.646 0.000 0.897 284 N CB 1.102 38.503 38.487 -1.810 0.000 1.184 284 N HN -0.028 nan 8.380 nan 0.000 0.497 285 P HA -0.158 nan 4.420 nan 0.000 0.221 285 P C 1.193 178.568 177.300 0.126 0.000 1.145 285 P CA 1.291 64.417 63.100 0.043 0.000 0.795 285 P CB 0.060 31.799 31.700 0.065 0.000 0.775 286 H N -4.036 115.043 119.070 0.015 0.000 2.548 286 H HA 0.006 4.144 4.556 -0.697 0.000 0.268 286 H C 0.317 175.805 175.328 0.267 0.000 0.975 286 H CA -0.193 55.924 56.048 0.116 0.000 1.195 286 H CB -1.093 28.737 29.762 0.113 0.000 1.397 286 H HN 0.082 nan 8.280 nan 0.000 0.572 287 W N 4.688 125.838 121.300 -0.249 0.000 2.193 287 W HA 0.090 4.331 4.660 -0.699 0.000 0.338 287 W C 0.795 177.296 176.519 -0.031 0.000 1.310 287 W CA -0.665 56.590 57.345 -0.152 0.000 1.243 287 W CB 0.343 29.711 29.460 -0.152 0.000 1.165 287 W HN 0.298 nan 8.180 nan 0.000 0.566 288 D N 0.227 120.729 120.400 0.170 0.000 2.387 288 D HA 0.216 4.437 4.640 -0.698 0.000 0.251 288 D C 1.269 177.624 176.300 0.092 0.000 1.141 288 D CA -0.196 53.866 54.000 0.104 0.000 0.987 288 D CB 0.702 41.538 40.800 0.060 0.000 1.116 288 D HN 0.454 nan 8.370 nan 0.000 0.491 289 G N -0.204 108.640 108.800 0.072 0.000 2.442 289 G HA2 -0.333 3.209 3.960 -0.698 0.000 0.219 289 G HA3 -0.333 3.209 3.960 -0.698 0.000 0.219 289 G C 1.352 176.290 174.900 0.064 0.000 1.141 289 G CA 0.991 46.135 45.100 0.073 0.000 0.763 289 G HN 0.587 nan 8.290 nan 0.000 0.554 290 E N 0.110 120.325 120.200 0.025 0.000 2.077 290 E HA -0.060 3.872 4.350 -0.698 0.000 0.193 290 E C 2.411 178.997 176.600 -0.023 0.000 0.989 290 E CA 0.990 57.401 56.400 0.019 0.000 0.800 290 E CB -0.375 29.327 29.700 0.004 0.000 0.746 290 E HN 0.436 nan 8.360 nan 0.000 0.452 291 M N -0.625 118.919 119.600 -0.094 0.000 2.175 291 M HA -0.138 3.923 4.480 -0.698 0.000 0.264 291 M C 1.223 177.381 176.300 -0.237 0.000 1.063 291 M CA 0.725 55.860 55.300 -0.275 0.000 1.119 291 M CB 0.010 32.261 32.600 -0.581 0.000 1.377 291 M HN 0.177 nan 8.290 nan 0.000 0.415 292 L N -0.287 120.931 121.223 -0.008 0.000 1.932 292 L HA -0.259 3.662 4.340 -0.698 0.000 0.217 292 L C 2.315 179.220 176.870 0.059 0.000 1.077 292 L CA 2.101 57.013 54.840 0.120 0.000 0.765 292 L CB -2.128 40.030 42.059 0.164 0.000 0.888 292 L HN 0.363 nan 8.230 nan 0.000 0.433 293 Y N 0.723 121.017 120.300 -0.009 0.000 1.997 293 Y HA -0.379 3.752 4.550 -0.698 0.000 0.265 293 Y C 2.765 178.594 175.900 -0.117 0.000 1.193 293 Y CA 2.327 60.458 58.100 0.052 0.000 1.106 293 Y CB -0.491 37.969 38.460 -0.000 0.000 0.940 293 Y HN 0.309 nan 8.280 nan 0.000 0.494 294 Q N 0.046 119.633 119.800 -0.354 0.000 2.014 294 Q HA -0.223 3.698 4.340 -0.698 0.000 0.207 294 Q C 2.171 177.776 176.000 -0.659 0.000 0.993 294 Q CA 1.917 57.242 55.803 -0.797 0.000 0.850 294 Q CB -0.605 27.391 28.738 -1.236 0.000 0.916 294 Q HN 0.586 nan 8.270 nan 0.000 0.417 295 E N 0.513 120.459 120.200 -0.423 0.000 2.097 295 E HA -0.163 3.768 4.350 -0.698 0.000 0.196 295 E C 1.892 178.457 176.600 -0.057 0.000 1.000 295 E CA 1.288 57.631 56.400 -0.095 0.000 0.804 295 E CB -0.261 29.479 29.700 0.066 0.000 0.740 295 E HN 0.357 nan 8.360 nan 0.000 0.454 296 A N 1.157 123.892 122.820 -0.141 0.000 1.858 296 A HA -0.194 3.707 4.320 -0.698 0.000 0.216 296 A C 2.240 179.762 177.584 -0.104 0.000 1.190 296 A CA 1.830 53.762 52.037 -0.175 0.000 0.617 296 A CB -0.586 18.196 19.000 -0.363 0.000 0.827 296 A HN 0.201 nan 8.150 nan 0.000 0.443 297 R N -0.184 120.163 120.500 -0.255 0.000 2.159 297 R HA -0.182 3.739 4.340 -0.698 0.000 0.237 297 R C 2.111 178.298 176.300 -0.188 0.000 1.131 297 R CA 1.959 57.773 56.100 -0.477 0.000 0.982 297 R CB -0.209 29.321 30.300 -1.283 0.000 0.868 297 R HN 0.559 nan 8.270 nan 0.000 0.453 298 K N 0.111 120.458 120.400 -0.088 0.000 2.076 298 K HA -0.045 3.856 4.320 -0.698 0.000 0.204 298 K C 1.930 178.742 176.600 0.354 0.000 1.051 298 K CA 1.002 57.382 56.287 0.154 0.000 0.949 298 K CB 0.110 32.750 32.500 0.233 0.000 0.726 298 K HN 0.095 nan 8.250 nan 0.000 0.443 299 I N 1.324 122.032 120.570 0.230 0.000 2.179 299 I HA -0.237 3.514 4.170 -0.698 0.000 0.242 299 I C 2.328 178.518 176.117 0.122 0.000 1.088 299 I CA 0.887 62.259 61.300 0.120 0.000 1.357 299 I CB -1.218 36.692 38.000 -0.150 0.000 1.051 299 I HN 0.215 nan 8.210 nan 0.000 0.409 300 L N 1.668 122.967 121.223 0.126 0.000 2.013 300 L HA -0.151 3.770 4.340 -0.698 0.000 0.212 300 L C 2.536 179.585 176.870 0.297 0.000 1.073 300 L CA 2.342 57.309 54.840 0.212 0.000 0.753 300 L CB -1.285 40.945 42.059 0.284 0.000 0.890 300 L HN 0.267 nan 8.230 nan 0.000 0.432 301 G N -1.513 107.436 108.800 0.249 0.000 2.446 301 G HA2 -0.293 3.248 3.960 -0.698 0.000 0.217 301 G HA3 -0.293 3.248 3.960 -0.698 0.000 0.217 301 G C 1.637 176.635 174.900 0.163 0.000 1.168 301 G CA 0.987 46.223 45.100 0.226 0.000 0.771 301 G HN 0.641 nan 8.290 nan 0.000 0.551 302 A N 0.417 123.333 122.820 0.160 0.000 1.917 302 A HA -0.051 3.851 4.320 -0.698 0.000 0.219 302 A C 2.165 179.638 177.584 -0.185 0.000 1.182 302 A CA 1.832 53.839 52.037 -0.050 0.000 0.633 302 A CB -0.624 18.327 19.000 -0.082 0.000 0.819 302 A HN 0.437 nan 8.150 nan 0.000 0.448 303 F N 1.146 121.026 119.950 -0.117 0.000 2.026 303 F HA -0.217 3.889 4.527 -0.702 0.000 0.296 303 F C 1.981 177.807 175.800 0.042 0.000 1.133 303 F CA 1.962 59.918 58.000 -0.073 0.000 1.188 303 F CB -0.266 38.737 39.000 0.005 0.000 0.968 303 F HN 0.174 nan 8.300 nan 0.000 0.476 304 I N 0.701 121.370 120.570 0.165 0.000 2.423 304 I HA -0.284 3.467 4.170 -0.698 0.000 0.254 304 I C 2.158 178.400 176.117 0.208 0.000 1.151 304 I CA 1.300 62.764 61.300 0.274 0.000 1.421 304 I CB -1.699 36.512 38.000 0.352 0.000 1.079 304 I HN 0.456 nan 8.210 nan 0.000 0.431 305 Q N 0.513 120.317 119.800 0.008 0.000 2.008 305 Q HA -0.048 3.874 4.340 -0.698 0.000 0.196 305 Q C 2.478 178.430 176.000 -0.080 0.000 0.973 305 Q CA 1.115 56.886 55.803 -0.054 0.000 0.826 305 Q CB -0.070 28.335 28.738 -0.554 0.000 0.894 305 Q HN 0.441 nan 8.270 nan 0.000 0.439 306 I N 1.123 121.423 120.570 -0.450 0.000 2.208 306 I HA -0.289 3.463 4.170 -0.698 0.000 0.245 306 I C 2.258 178.280 176.117 -0.157 0.000 1.097 306 I CA 0.904 61.957 61.300 -0.411 0.000 1.363 306 I CB -0.435 37.166 38.000 -0.666 0.000 1.051 306 I HN 0.188 nan 8.210 nan 0.000 0.413 307 I N 0.756 121.170 120.570 -0.260 0.000 2.113 307 I HA -0.247 3.504 4.170 -0.698 0.000 0.238 307 I C 2.696 178.829 176.117 0.028 0.000 1.070 307 I CA 1.865 63.027 61.300 -0.230 0.000 1.332 307 I CB -1.722 35.920 38.000 -0.597 0.000 1.044 307 I HN 0.242 nan 8.210 nan 0.000 0.402 308 T N 1.367 116.105 114.554 0.308 0.000 2.624 308 T HA -0.231 3.701 4.350 -0.698 0.000 0.268 308 T C 1.772 176.662 174.700 0.317 0.000 1.041 308 T CA 1.920 64.312 62.100 0.486 0.000 1.159 308 T CB -0.407 68.823 68.868 0.603 0.000 0.863 308 T HN 0.101 nan 8.240 nan 0.000 0.434 309 F N 0.366 120.439 119.950 0.206 0.000 2.335 309 F HA 0.262 4.371 4.527 -0.697 0.000 0.296 309 F C 2.523 178.406 175.800 0.139 0.000 1.091 309 F CA 0.319 58.438 58.000 0.198 0.000 1.399 309 F CB -0.211 39.033 39.000 0.408 0.000 1.067 309 F HN -0.045 nan 8.300 nan 0.000 0.520 310 R N 0.131 120.807 120.500 0.295 0.000 2.080 310 R HA -0.061 3.860 4.340 -0.698 0.000 0.222 310 R C 1.212 177.572 176.300 0.099 0.000 1.107 310 R CA 1.653 57.864 56.100 0.186 0.000 0.980 310 R CB -0.048 30.336 30.300 0.140 0.000 0.879 310 R HN 0.128 nan 8.270 nan 0.000 0.439 311 D N -1.088 119.351 120.400 0.065 0.000 2.394 311 D HA -0.073 4.148 4.640 -0.698 0.000 0.226 311 D C 1.361 177.562 176.300 -0.165 0.000 0.990 311 D CA 0.559 54.580 54.000 0.035 0.000 0.902 311 D CB -0.243 40.678 40.800 0.202 0.000 1.038 311 D HN 0.158 nan 8.370 nan 0.000 0.499 312 Y N 2.130 122.185 120.300 -0.409 0.000 2.159 312 Y HA 0.028 4.177 4.550 -0.669 0.000 0.285 312 Y C 2.267 178.046 175.900 -0.202 0.000 1.106 312 Y CA 1.071 58.888 58.100 -0.472 0.000 1.095 312 Y CB -0.645 37.623 38.460 -0.320 0.000 1.015 312 Y HN -0.236 nan 8.280 nan 0.000 0.491 313 L N 0.446 121.481 121.223 -0.313 0.000 2.064 313 L HA -0.239 3.683 4.340 -0.698 0.000 0.216 313 L C -0.563 176.112 176.870 -0.325 0.000 1.077 313 L CA 1.870 56.430 54.840 -0.467 0.000 0.766 313 L CB -1.868 39.874 42.059 -0.528 0.000 0.890 313 L HN 0.275 nan 8.230 nan 0.000 0.435 314 P HA -0.161 nan 4.420 nan 0.000 0.219 314 P C 1.494 178.706 177.300 -0.146 0.000 1.146 314 P CA 1.348 64.373 63.100 -0.125 0.000 0.808 314 P CB -0.067 31.594 31.700 -0.064 0.000 0.779 315 I N -6.084 114.369 120.570 -0.195 0.000 3.883 315 I HA 0.082 3.833 4.170 -0.698 0.000 0.326 315 I C 1.272 177.289 176.117 -0.167 0.000 1.283 315 I CA 0.197 61.381 61.300 -0.195 0.000 1.161 315 I CB -0.179 37.670 38.000 -0.252 0.000 1.012 315 I HN -0.244 nan 8.210 nan 0.000 0.421 316 V N 1.328 121.109 119.914 -0.222 0.000 2.403 316 V HA 0.004 3.706 4.120 -0.698 0.000 0.239 316 V C 2.290 178.259 176.094 -0.207 0.000 1.041 316 V CA 1.216 63.389 62.300 -0.212 0.000 1.051 316 V CB -0.067 31.487 31.823 -0.450 0.000 0.704 316 V HN 0.360 nan 8.190 nan 0.000 0.472 317 L N -0.123 120.979 121.223 -0.202 0.000 2.179 317 L HA 0.301 4.222 4.340 -0.698 0.000 0.208 317 L C 1.751 178.585 176.870 -0.061 0.000 1.096 317 L CA 0.974 55.740 54.840 -0.123 0.000 0.779 317 L CB -1.104 40.908 42.059 -0.078 0.000 0.922 317 L HN 0.555 nan 8.230 nan 0.000 0.443 318 G N 1.047 109.804 108.800 -0.071 0.000 2.582 318 G HA2 -0.450 3.091 3.960 -0.698 0.000 0.288 318 G HA3 -0.450 3.091 3.960 -0.698 0.000 0.288 318 G C 0.996 175.891 174.900 -0.008 0.000 1.247 318 G CA 1.012 46.084 45.100 -0.047 0.000 0.972 318 G HN 0.439 nan 8.290 nan 0.000 0.557 319 S N -0.184 115.514 115.700 -0.003 0.000 2.444 319 S HA -0.165 3.886 4.470 -0.698 0.000 0.244 319 S C 1.555 176.181 174.600 0.043 0.000 1.025 319 S CA 2.419 60.626 58.200 0.012 0.000 0.995 319 S CB -0.192 63.013 63.200 0.008 0.000 0.781 319 S HN 0.661 nan 8.310 nan 0.000 0.496 320 E N 0.079 120.328 120.200 0.081 0.000 2.479 320 E HA 0.174 4.105 4.350 -0.698 0.000 0.193 320 E C 1.387 178.145 176.600 0.262 0.000 1.049 320 E CA 0.172 56.691 56.400 0.198 0.000 0.870 320 E CB -0.166 29.692 29.700 0.262 0.000 0.944 320 E HN 0.658 nan 8.360 nan 0.000 0.492 321 M N 1.922 121.598 119.600 0.127 0.000 2.126 321 M HA -0.248 3.813 4.480 -0.698 0.000 0.259 321 M C 2.308 178.683 176.300 0.125 0.000 1.073 321 M CA 2.063 57.432 55.300 0.114 0.000 1.103 321 M CB -0.491 32.134 32.600 0.041 0.000 1.284 321 M HN 0.020 nan 8.290 nan 0.000 0.420 322 Q N -0.212 119.624 119.800 0.061 0.000 2.291 322 Q HA -0.252 3.670 4.340 -0.698 0.000 0.206 322 Q C 1.944 177.919 176.000 -0.040 0.000 0.976 322 Q CA 1.913 57.733 55.803 0.028 0.000 0.875 322 Q CB -0.802 27.942 28.738 0.010 0.000 0.927 322 Q HN 0.729 nan 8.270 nan 0.000 0.450 323 K N -0.346 119.994 120.400 -0.100 0.000 2.211 323 K HA -0.132 3.769 4.320 -0.698 0.000 0.203 323 K C 0.658 176.897 176.600 -0.601 0.000 1.050 323 K CA 1.425 57.493 56.287 -0.365 0.000 0.945 323 K CB 0.010 32.253 32.500 -0.429 0.000 0.732 323 K HN 0.397 nan 8.250 nan 0.000 0.451 324 W N -0.400 120.910 121.300 0.017 0.000 3.178 324 W HA 0.275 4.522 4.660 -0.689 0.000 0.241 324 W C -0.002 176.548 176.519 0.051 0.000 1.122 324 W CA -0.648 56.716 57.345 0.031 0.000 1.595 324 W CB 0.599 30.084 29.460 0.042 0.000 0.918 324 W HN -0.183 nan 8.180 nan 0.000 0.700 325 I N 3.219 123.947 120.570 0.263 0.000 2.578 325 I HA 0.209 3.961 4.170 -0.698 0.000 0.284 325 I C -1.924 174.283 176.117 0.150 0.000 1.156 325 I CA -2.649 58.777 61.300 0.210 0.000 1.165 325 I CB -0.436 37.687 38.000 0.204 0.000 1.567 325 I HN -0.335 nan 8.210 nan 0.000 0.546 326 P HA 0.236 nan 4.420 nan 0.000 0.273 326 P C -2.513 174.853 177.300 0.110 0.000 1.250 326 P CA -1.129 62.016 63.100 0.075 0.000 0.793 326 P CB -0.354 31.366 31.700 0.034 0.000 1.011 327 P HA 0.002 nan 4.420 nan 0.000 0.268 327 P C -0.272 177.130 177.300 0.171 0.000 1.208 327 P CA 0.208 63.391 63.100 0.138 0.000 0.777 327 P CB -0.068 31.693 31.700 0.103 0.000 0.875 328 Y N 2.024 122.342 120.300 0.031 0.000 2.597 328 Y HA -0.006 4.128 4.550 -0.694 0.000 0.336 328 Y C 1.236 177.130 175.900 -0.010 0.000 1.216 328 Y CA 0.729 58.820 58.100 -0.014 0.000 1.463 328 Y CB 0.427 38.881 38.460 -0.010 0.000 1.303 328 Y HN 0.369 nan 8.280 nan 0.000 0.576 329 Q N 3.675 123.221 119.800 -0.423 0.000 2.103 329 Q HA 0.304 4.225 4.340 -0.698 0.000 0.219 329 Q C 0.310 175.933 176.000 -0.629 0.000 0.784 329 Q CA 0.479 56.038 55.803 -0.408 0.000 1.014 329 Q CB 0.980 29.609 28.738 -0.183 0.000 1.183 329 Q HN 0.993 nan 8.270 nan 0.000 0.469 330 G N 1.403 109.371 108.800 -1.386 0.000 2.555 330 G HA2 -0.237 3.305 3.960 -0.698 0.000 0.686 330 G HA3 -0.237 3.305 3.960 -0.698 0.000 0.686 330 G C -1.346 173.414 174.900 -0.233 0.000 1.275 330 G CA -0.947 43.663 45.100 -0.817 0.000 0.871 330 G HN 0.128 nan 8.290 nan 0.000 0.603 331 Y N 1.777 122.040 120.300 -0.061 0.000 2.526 331 Y HA 0.485 4.616 4.550 -0.699 0.000 0.330 331 Y C 0.558 176.468 175.900 0.017 0.000 1.156 331 Y CA -0.382 57.759 58.100 0.068 0.000 1.419 331 Y CB 0.827 39.333 38.460 0.076 0.000 1.250 331 Y HN 0.581 nan 8.280 nan 0.000 0.540 332 N N 6.279 124.781 118.700 -0.331 0.000 2.706 332 N HA 0.010 4.331 4.740 -0.698 0.000 0.240 332 N C 0.416 175.559 175.510 -0.612 0.000 1.039 332 N CA -0.259 52.562 53.050 -0.383 0.000 0.888 332 N CB 0.078 38.478 38.487 -0.145 0.000 1.128 332 N HN 0.933 nan 8.380 nan 0.000 0.512 333 N N 1.245 119.462 118.700 -0.805 0.000 2.588 333 N HA -0.101 4.220 4.740 -0.698 0.000 0.190 333 N C -0.075 175.323 175.510 -0.187 0.000 1.094 333 N CA 0.571 53.294 53.050 -0.545 0.000 0.921 333 N CB 0.181 38.489 38.487 -0.298 0.000 0.959 333 N HN 0.135 nan 8.380 nan 0.000 0.448 334 S N -0.055 115.554 115.700 -0.151 0.000 2.577 334 S HA 0.189 4.241 4.470 -0.698 0.000 0.219 334 S C 0.298 174.885 174.600 -0.021 0.000 0.962 334 S CA -0.508 57.657 58.200 -0.058 0.000 0.921 334 S CB 0.581 63.749 63.200 -0.053 0.000 0.789 334 S HN 0.108 nan 8.310 nan 0.000 0.497 335 V N 2.999 122.901 119.914 -0.019 0.000 2.407 335 V HA 0.236 3.937 4.120 -0.698 0.000 0.278 335 V C -0.010 176.136 176.094 0.087 0.000 1.037 335 V CA -1.031 61.289 62.300 0.034 0.000 0.900 335 V CB 1.422 33.270 31.823 0.042 0.000 0.983 335 V HN 0.199 nan 8.190 nan 0.000 0.459 336 D N 8.245 128.701 120.400 0.093 0.000 2.363 336 D HA 0.099 4.320 4.640 -0.698 0.000 0.263 336 D C -1.216 175.156 176.300 0.121 0.000 1.258 336 D CA -1.491 52.580 54.000 0.118 0.000 0.907 336 D CB 1.762 42.640 40.800 0.131 0.000 1.107 336 D HN 0.304 nan 8.370 nan 0.000 0.495 337 P HA -0.033 nan 4.420 nan 0.000 0.231 337 P C 0.289 177.534 177.300 -0.093 0.000 1.168 337 P CA 0.017 63.146 63.100 0.048 0.000 0.779 337 P CB 0.431 32.206 31.700 0.126 0.000 0.844 338 R N 0.529 121.000 120.500 -0.049 0.000 2.566 338 R HA 0.056 3.978 4.340 -0.698 0.000 0.273 338 R C 0.623 176.863 176.300 -0.101 0.000 0.981 338 R CA 0.005 56.059 56.100 -0.078 0.000 1.091 338 R CB 0.162 30.468 30.300 0.010 0.000 0.924 338 R HN 0.114 nan 8.270 nan 0.000 0.411 339 I N 2.879 123.348 120.570 -0.169 0.000 2.471 339 I HA -0.025 3.727 4.170 -0.698 0.000 0.286 339 I C 1.126 177.116 176.117 -0.211 0.000 1.079 339 I CA 0.332 61.482 61.300 -0.251 0.000 1.398 339 I CB 0.848 38.734 38.000 -0.190 0.000 1.403 339 I HN 0.689 nan 8.210 nan 0.000 0.530 340 S N 5.455 120.917 115.700 -0.396 0.000 2.614 340 S HA 0.163 4.214 4.470 -0.698 0.000 0.265 340 S C 1.041 175.460 174.600 -0.300 0.000 1.303 340 S CA -0.577 57.297 58.200 -0.545 0.000 1.000 340 S CB 1.480 63.716 63.200 -1.607 0.000 0.935 340 S HN 0.628 nan 8.310 nan 0.000 0.551 341 N N 0.538 119.132 118.700 -0.176 0.000 2.039 341 N HA -0.132 4.189 4.740 -0.698 0.000 0.193 341 N C 1.808 177.346 175.510 0.046 0.000 1.044 341 N CA 1.575 54.654 53.050 0.049 0.000 0.847 341 N CB -0.969 37.627 38.487 0.182 0.000 1.030 341 N HN 0.522 nan 8.380 nan 0.000 0.422 342 V N 1.064 120.911 119.914 -0.112 0.000 2.453 342 V HA -0.238 3.463 4.120 -0.698 0.000 0.252 342 V C 2.146 178.110 176.094 -0.216 0.000 1.068 342 V CA 1.732 63.898 62.300 -0.223 0.000 1.070 342 V CB -0.781 30.503 31.823 -0.898 0.000 0.664 342 V HN 0.314 nan 8.190 nan 0.000 0.461 343 F N 1.986 121.653 119.950 -0.471 0.000 2.120 343 F HA -0.230 3.879 4.527 -0.697 0.000 0.300 343 F C 2.649 178.329 175.800 -0.200 0.000 1.095 343 F CA 2.380 60.153 58.000 -0.377 0.000 1.249 343 F CB -0.855 37.875 39.000 -0.450 0.000 0.995 343 F HN 0.389 nan 8.300 nan 0.000 0.480 344 T N -2.570 111.865 114.554 -0.198 0.000 3.139 344 T HA -0.160 3.771 4.350 -0.698 0.000 0.267 344 T C 1.420 175.725 174.700 -0.659 0.000 1.164 344 T CA 1.242 63.099 62.100 -0.406 0.000 1.075 344 T CB -1.003 67.599 68.868 -0.443 0.000 0.904 344 T HN 0.319 nan 8.240 nan 0.000 0.540 345 F N 0.090 119.912 119.950 -0.212 0.000 2.680 345 F HA 0.600 4.724 4.527 -0.671 0.000 0.290 345 F C 2.546 178.326 175.800 -0.033 0.000 1.114 345 F CA -0.125 57.807 58.000 -0.113 0.000 1.333 345 F CB -0.146 38.794 39.000 -0.099 0.000 1.091 345 F HN 0.202 nan 8.300 nan 0.000 0.606 346 A N -0.189 122.609 122.820 -0.037 0.000 1.930 346 A HA -0.117 3.785 4.320 -0.698 0.000 0.215 346 A C 1.789 179.422 177.584 0.083 0.000 1.176 346 A CA 0.916 52.928 52.037 -0.041 0.000 0.632 346 A CB -0.898 17.992 19.000 -0.183 0.000 0.819 346 A HN 0.323 nan 8.150 nan 0.000 0.445 347 F N 1.101 120.833 119.950 -0.364 0.000 2.771 347 F HA 0.087 4.397 4.527 -0.362 0.000 0.299 347 F C 1.843 177.489 175.800 -0.255 0.000 1.177 347 F CA 0.152 58.017 58.000 -0.225 0.000 1.450 347 F CB -0.396 38.217 39.000 -0.645 0.000 1.114 347 F HN 0.213 nan 8.300 nan 0.000 0.587 348 R N -0.318 120.143 120.500 -0.065 0.000 2.323 348 R HA -0.116 3.805 4.340 -0.698 0.000 0.198 348 R C 2.068 178.268 176.300 -0.168 0.000 0.988 348 R CA 0.695 56.600 56.100 -0.326 0.000 1.041 348 R CB -0.799 29.390 30.300 -0.185 0.000 0.926 348 R HN 0.415 nan 8.270 nan 0.000 0.476 349 F N -0.335 119.621 119.950 0.011 0.000 2.184 349 F HA -0.131 4.015 4.527 -0.636 0.000 0.301 349 F C 1.932 177.741 175.800 0.014 0.000 1.076 349 F CA 1.213 59.214 58.000 0.001 0.000 1.295 349 F CB -1.062 37.948 39.000 0.016 0.000 1.026 349 F HN -0.109 nan 8.300 nan 0.000 0.494 350 G N -0.334 107.837 108.800 -1.049 0.000 2.462 350 G HA2 -0.262 3.279 3.960 -0.698 0.000 0.220 350 G HA3 -0.262 3.279 3.960 -0.698 0.000 0.220 350 G C 1.225 176.020 174.900 -0.176 0.000 1.121 350 G CA 0.995 45.631 45.100 -0.774 0.000 0.758 350 G HN 0.658 nan 8.290 nan 0.000 0.559 351 H N -0.288 118.737 119.070 -0.074 0.000 2.489 351 H HA 0.039 4.170 4.556 -0.708 0.000 0.295 351 H C 1.958 177.361 175.328 0.126 0.000 1.082 351 H CA 0.619 56.708 56.048 0.068 0.000 1.295 351 H CB -0.008 29.888 29.762 0.225 0.000 1.380 351 H HN 0.360 nan 8.280 nan 0.000 0.548 352 M N 0.420 120.160 119.600 0.233 0.000 2.530 352 M HA 0.043 4.104 4.480 -0.698 0.000 0.231 352 M C 0.185 176.585 176.300 0.166 0.000 1.180 352 M CA 0.686 56.104 55.300 0.197 0.000 0.985 352 M CB 0.470 33.156 32.600 0.143 0.000 1.623 352 M HN 0.308 nan 8.290 nan 0.000 0.475 353 E N -0.145 120.140 120.200 0.142 0.000 2.641 353 E HA 0.157 4.088 4.350 -0.698 0.000 0.224 353 E C -0.162 176.518 176.600 0.133 0.000 0.951 353 E CA -0.098 56.391 56.400 0.148 0.000 1.102 353 E CB 1.147 30.933 29.700 0.143 0.000 1.091 353 E HN 0.142 nan 8.360 nan 0.000 0.507 354 V N 4.585 124.576 119.914 0.128 0.000 2.427 354 V HA 0.148 3.850 4.120 -0.698 0.000 0.268 354 V C -2.163 174.018 176.094 0.144 0.000 1.046 354 V CA -1.486 60.886 62.300 0.120 0.000 0.970 354 V CB 0.208 32.102 31.823 0.118 0.000 1.001 354 V HN 0.010 nan 8.190 nan 0.000 0.476 355 P HA 0.173 nan 4.420 nan 0.000 0.276 355 P C 0.682 178.053 177.300 0.117 0.000 1.244 355 P CA -0.425 62.754 63.100 0.131 0.000 0.801 355 P CB 0.643 32.409 31.700 0.111 0.000 1.006 356 S N -1.149 114.623 115.700 0.121 0.000 2.607 356 S HA 0.066 4.117 4.470 -0.698 0.000 0.224 356 S C 0.485 175.115 174.600 0.050 0.000 0.969 356 S CA 0.468 58.725 58.200 0.095 0.000 0.927 356 S CB -1.139 62.124 63.200 0.105 0.000 0.772 356 S HN 0.679 nan 8.310 nan 0.000 0.533 357 T N -1.639 112.938 114.554 0.039 0.000 2.923 357 T HA 0.650 4.582 4.350 -0.698 0.000 0.311 357 T C -1.031 173.671 174.700 0.003 0.000 1.183 357 T CA -0.790 61.312 62.100 0.005 0.000 1.020 357 T CB 1.602 70.479 68.868 0.014 0.000 1.165 357 T HN -0.020 nan 8.240 nan 0.000 0.482 358 V N 2.284 122.180 119.914 -0.029 0.000 2.435 358 V HA 0.711 4.412 4.120 -0.698 0.000 0.290 358 V C 0.258 176.343 176.094 -0.014 0.000 1.030 358 V CA -0.545 61.741 62.300 -0.022 0.000 0.881 358 V CB 1.725 33.514 31.823 -0.057 0.000 0.983 358 V HN 1.112 nan 8.190 nan 0.000 0.445 359 S N 3.333 119.038 115.700 0.009 0.000 2.664 359 S HA 0.793 4.844 4.470 -0.698 0.000 0.304 359 S C -0.569 174.037 174.600 0.009 0.000 1.099 359 S CA -0.839 57.373 58.200 0.021 0.000 1.003 359 S CB 1.576 64.801 63.200 0.041 0.000 1.092 359 S HN 0.703 nan 8.310 nan 0.000 0.525 360 R N 1.407 121.927 120.500 0.033 0.000 2.473 360 R HA 0.514 4.435 4.340 -0.698 0.000 0.303 360 R C -1.267 175.057 176.300 0.040 0.000 1.002 360 R CA -0.178 55.917 56.100 -0.008 0.000 0.884 360 R CB 0.784 31.100 30.300 0.028 0.000 1.173 360 R HN 0.421 nan 8.270 nan 0.000 0.464 361 L N 2.465 123.637 121.223 -0.084 0.000 2.360 361 L HA 0.480 4.401 4.340 -0.698 0.000 0.271 361 L C 0.415 177.163 176.870 -0.203 0.000 1.057 361 L CA -0.974 53.803 54.840 -0.105 0.000 0.803 361 L CB 1.104 43.042 42.059 -0.200 0.000 1.207 361 L HN 0.639 nan 8.230 nan 0.000 0.445 362 D N 0.118 120.473 120.400 -0.075 0.000 2.453 362 D HA 0.013 4.234 4.640 -0.698 0.000 0.282 362 D C 0.614 176.743 176.300 -0.285 0.000 1.222 362 D CA -0.347 53.623 54.000 -0.049 0.000 1.079 362 D CB 0.309 41.230 40.800 0.202 0.000 1.128 362 D HN 0.522 nan 8.370 nan 0.000 0.568 363 E N -1.086 119.004 120.200 -0.184 0.000 2.409 363 E HA -0.093 3.838 4.350 -0.698 0.000 0.198 363 E C 0.625 177.103 176.600 -0.202 0.000 1.024 363 E CA 0.560 56.831 56.400 -0.215 0.000 0.861 363 E CB -0.502 29.140 29.700 -0.097 0.000 0.788 363 E HN 0.437 nan 8.360 nan 0.000 0.521 364 N N -0.379 118.213 118.700 -0.179 0.000 2.203 364 N HA 0.049 4.371 4.740 -0.698 0.000 0.207 364 N C -0.833 174.498 175.510 -0.298 0.000 1.130 364 N CA -0.181 52.791 53.050 -0.129 0.000 0.861 364 N CB 0.341 38.824 38.487 -0.007 0.000 1.005 364 N HN 0.042 nan 8.380 nan 0.000 0.507 365 Y N 0.029 120.035 120.300 -0.491 0.000 3.929 365 Y HA -0.256 3.874 4.550 -0.700 0.000 0.225 365 Y C -0.048 175.702 175.900 -0.250 0.000 1.200 365 Y CA 0.346 58.138 58.100 -0.514 0.000 1.791 365 Y CB -1.652 36.166 38.460 -1.070 0.000 1.561 365 Y HN 0.221 nan 8.280 nan 0.000 0.657 366 Q N -0.130 119.625 119.800 -0.074 0.000 2.204 366 Q HA 0.465 4.387 4.340 -0.698 0.000 0.254 366 Q C -2.220 173.799 176.000 0.031 0.000 0.981 366 Q CA -2.182 53.623 55.803 0.003 0.000 0.897 366 Q CB 0.933 29.681 28.738 0.015 0.000 1.273 366 Q HN -0.069 nan 8.270 nan 0.000 0.464 367 P HA -0.081 nan 4.420 nan 0.000 0.264 367 P C -0.889 176.482 177.300 0.119 0.000 1.193 367 P CA 0.315 63.460 63.100 0.074 0.000 0.763 367 P CB 0.225 31.952 31.700 0.045 0.000 0.810 368 W N 5.976 127.245 121.300 -0.051 0.000 2.292 368 W HA 0.505 4.748 4.660 -0.695 0.000 0.352 368 W C 0.386 176.887 176.519 -0.030 0.000 0.962 368 W CA 0.932 58.248 57.345 -0.049 0.000 1.496 368 W CB -0.176 29.247 29.460 -0.062 0.000 1.381 368 W HN 0.766 nan 8.180 nan 0.000 0.363 369 G N 5.546 114.154 108.800 -0.321 0.000 2.592 369 G HA2 -0.208 3.333 3.960 -0.698 0.000 0.684 369 G HA3 -0.208 3.333 3.960 -0.698 0.000 0.684 369 G C -1.709 173.093 174.900 -0.163 0.000 1.291 369 G CA -0.431 44.439 45.100 -0.382 0.000 0.891 369 G HN 0.306 nan 8.290 nan 0.000 0.544 370 P HA 0.134 nan 4.420 nan 0.000 0.240 370 P C 0.360 177.634 177.300 -0.042 0.000 1.190 370 P CA 1.138 64.192 63.100 -0.077 0.000 0.781 370 P CB 0.260 31.913 31.700 -0.078 0.000 0.931 371 E N -0.481 119.696 120.200 -0.037 0.000 4.044 371 E HA 0.401 4.333 4.350 -0.698 0.000 0.216 371 E C 0.798 177.415 176.600 0.030 0.000 1.104 371 E CA -0.329 56.069 56.400 -0.003 0.000 1.383 371 E CB 0.774 30.477 29.700 0.006 0.000 1.195 371 E HN 0.020 nan 8.360 nan 0.000 0.442 372 A N 1.440 124.286 122.820 0.042 0.000 1.855 372 A HA -0.134 3.768 4.320 -0.698 0.000 0.215 372 A C 1.255 178.878 177.584 0.066 0.000 1.191 372 A CA 0.931 53.029 52.037 0.103 0.000 0.613 372 A CB -0.026 19.038 19.000 0.106 0.000 0.829 372 A HN 0.354 nan 8.150 nan 0.000 0.442 373 E N 0.329 120.550 120.200 0.035 0.000 2.167 373 E HA 0.504 4.435 4.350 -0.698 0.000 0.284 373 E C -1.144 175.450 176.600 -0.010 0.000 1.016 373 E CA -0.360 56.050 56.400 0.016 0.000 0.817 373 E CB 0.335 30.048 29.700 0.022 0.000 1.080 373 E HN 0.429 nan 8.360 nan 0.000 0.397 374 L N 5.136 126.336 121.223 -0.038 0.000 2.319 374 L HA 0.552 4.474 4.340 -0.698 0.000 0.267 374 L C -2.261 174.541 176.870 -0.115 0.000 1.011 374 L CA -2.804 51.986 54.840 -0.085 0.000 0.818 374 L CB 1.797 43.782 42.059 -0.123 0.000 1.316 374 L HN 0.480 nan 8.230 nan 0.000 0.432 375 P HA 0.023 nan 4.420 nan 0.000 0.276 375 P C 0.624 177.740 177.300 -0.306 0.000 1.230 375 P CA -0.309 62.670 63.100 -0.201 0.000 0.776 375 P CB 0.763 32.286 31.700 -0.295 0.000 0.888 376 L N 4.562 125.667 121.223 -0.198 0.000 2.187 376 L HA -0.188 3.734 4.340 -0.698 0.000 0.213 376 L C 1.917 178.410 176.870 -0.628 0.000 1.100 376 L CA 2.112 56.784 54.840 -0.280 0.000 0.765 376 L CB -0.849 41.150 42.059 -0.101 0.000 0.904 376 L HN 0.627 nan 8.230 nan 0.000 0.437 377 H N -1.523 117.265 119.070 -0.470 0.000 2.524 377 H HA -0.059 4.077 4.556 -0.700 0.000 0.282 377 H C 1.555 176.649 175.328 -0.389 0.000 1.016 377 H CA 1.290 56.962 56.048 -0.626 0.000 1.270 377 H CB -0.508 29.252 29.762 -0.002 0.000 1.394 377 H HN 0.425 nan 8.280 nan 0.000 0.568 378 T N -0.912 113.220 114.554 -0.703 0.000 3.129 378 T HA 0.178 4.110 4.350 -0.698 0.000 0.251 378 T C 1.532 176.066 174.700 -0.276 0.000 1.117 378 T CA -0.104 61.770 62.100 -0.376 0.000 1.034 378 T CB -0.319 68.307 68.868 -0.403 0.000 0.968 378 T HN 0.308 nan 8.240 nan 0.000 0.526 379 L N -0.273 120.699 121.223 -0.418 0.000 2.808 379 L HA 0.470 4.391 4.340 -0.698 0.000 0.246 379 L C -0.446 176.292 176.870 -0.222 0.000 1.153 379 L CA -0.609 54.035 54.840 -0.328 0.000 0.956 379 L CB 0.106 41.972 42.059 -0.323 0.000 1.270 379 L HN 0.139 nan 8.230 nan 0.000 0.528 380 F N 0.404 120.328 119.950 -0.043 0.000 2.471 380 F HA 0.245 4.352 4.527 -0.700 0.000 0.365 380 F C 0.702 176.457 175.800 -0.075 0.000 1.095 380 F CA -0.906 57.015 58.000 -0.132 0.000 1.174 380 F CB -0.419 38.606 39.000 0.042 0.000 1.105 380 F HN -0.021 nan 8.300 nan 0.000 0.535 381 F N 0.186 120.229 119.950 0.154 0.000 2.988 381 F HA -0.318 3.796 4.527 -0.689 0.000 0.287 381 F C 0.677 176.467 175.800 -0.017 0.000 0.781 381 F CA 0.124 58.158 58.000 0.055 0.000 1.221 381 F CB -1.302 37.748 39.000 0.083 0.000 1.392 381 F HN 0.498 nan 8.300 nan 0.000 0.425 382 N N 1.199 119.902 118.700 0.006 0.000 2.415 382 N HA 0.218 4.540 4.740 -0.698 0.000 0.246 382 N C 0.867 176.264 175.510 -0.189 0.000 1.078 382 N CA 0.854 53.841 53.050 -0.106 0.000 0.942 382 N CB 1.040 39.370 38.487 -0.261 0.000 1.140 382 N HN 0.285 nan 8.380 nan 0.000 0.501 383 T N 0.074 114.538 114.554 -0.151 0.000 2.978 383 T HA 0.016 3.947 4.350 -0.698 0.000 0.248 383 T C 1.756 176.347 174.700 -0.182 0.000 1.018 383 T CA -0.414 61.529 62.100 -0.261 0.000 1.026 383 T CB -0.333 68.285 68.868 -0.416 0.000 1.032 383 T HN 0.671 nan 8.240 nan 0.000 0.485 384 W N 2.433 123.653 121.300 -0.134 0.000 2.421 384 W HA 0.043 4.286 4.660 -0.694 0.000 0.270 384 W C 1.331 177.826 176.519 -0.040 0.000 1.233 384 W CA -0.022 57.272 57.345 -0.084 0.000 1.226 384 W CB -0.667 28.745 29.460 -0.079 0.000 1.121 384 W HN 0.060 nan 8.180 nan 0.000 0.579 385 R N 0.784 120.821 120.500 -0.771 0.000 2.148 385 R HA -0.051 3.871 4.340 -0.698 0.000 0.223 385 R C 1.890 178.047 176.300 -0.239 0.000 1.088 385 R CA 0.986 56.653 56.100 -0.722 0.000 0.985 385 R CB -0.638 29.161 30.300 -0.835 0.000 0.880 385 R HN 0.312 nan 8.270 nan 0.000 0.451 386 I N 0.457 120.919 120.570 -0.179 0.000 2.130 386 I HA -0.176 3.575 4.170 -0.698 0.000 0.232 386 I C 2.346 178.474 176.117 0.018 0.000 1.064 386 I CA 1.029 62.290 61.300 -0.065 0.000 1.338 386 I CB -0.672 37.289 38.000 -0.065 0.000 1.084 386 I HN -0.085 nan 8.210 nan 0.000 0.404 387 I N 0.213 120.756 120.570 -0.044 0.000 2.143 387 I HA -0.349 3.402 4.170 -0.698 0.000 0.245 387 I C 1.593 177.834 176.117 0.207 0.000 1.068 387 I CA 1.805 63.154 61.300 0.081 0.000 1.326 387 I CB -0.326 37.730 38.000 0.094 0.000 1.028 387 I HN 0.222 nan 8.210 nan 0.000 0.412 388 K N -0.554 119.981 120.400 0.225 0.000 2.440 388 K HA 0.100 4.001 4.320 -0.698 0.000 0.206 388 K C -0.402 176.371 176.600 0.289 0.000 1.025 388 K CA 0.081 56.531 56.287 0.271 0.000 1.135 388 K CB 0.449 33.143 32.500 0.323 0.000 0.856 388 K HN 0.034 nan 8.250 nan 0.000 0.502 389 D N -0.375 120.172 120.400 0.244 0.000 3.220 389 D HA 0.178 4.400 4.640 -0.698 0.000 0.309 389 D C 0.407 176.899 176.300 0.321 0.000 1.276 389 D CA 0.447 54.639 54.000 0.319 0.000 0.736 389 D CB 0.388 41.328 40.800 0.234 0.000 1.304 389 D HN 0.206 nan 8.370 nan 0.000 0.582 390 G N -0.048 108.920 108.800 0.279 0.000 2.278 390 G HA2 0.177 3.719 3.960 -0.698 0.000 0.210 390 G HA3 0.177 3.719 3.960 -0.698 0.000 0.210 390 G C 1.014 175.907 174.900 -0.012 0.000 1.000 390 G CA 0.397 45.472 45.100 -0.042 0.000 0.635 390 G HN 1.399 nan 8.290 nan 0.000 0.495 391 G N -0.358 108.498 108.800 0.093 0.000 2.725 391 G HA2 0.127 3.668 3.960 -0.698 0.000 0.220 391 G HA3 0.127 3.668 3.960 -0.698 0.000 0.220 391 G C 0.723 175.679 174.900 0.094 0.000 1.357 391 G CA 0.827 46.050 45.100 0.205 0.000 0.866 391 G HN 1.814 nan 8.290 nan 0.000 0.548 392 I N -2.742 117.914 120.570 0.142 0.000 3.578 392 I HA 0.321 4.072 4.170 -0.698 0.000 0.295 392 I C 1.495 177.590 176.117 -0.037 0.000 1.280 392 I CA 1.491 62.823 61.300 0.054 0.000 1.347 392 I CB 0.034 38.098 38.000 0.106 0.000 1.051 392 I HN 0.313 nan 8.210 nan 0.000 0.460 393 D N 2.335 122.695 120.400 -0.066 0.000 2.123 393 D HA -0.089 4.133 4.640 -0.698 0.000 0.196 393 D C -0.256 175.906 176.300 -0.230 0.000 0.992 393 D CA 1.698 55.618 54.000 -0.132 0.000 0.833 393 D CB -1.393 39.324 40.800 -0.138 0.000 0.954 393 D HN 0.318 nan 8.370 nan 0.000 0.455 394 P HA -0.032 nan 4.420 nan 0.000 0.217 394 P C 1.562 178.708 177.300 -0.257 0.000 1.151 394 P CA 0.782 63.608 63.100 -0.457 0.000 0.828 394 P CB 0.078 31.297 31.700 -0.802 0.000 0.788 395 L N -1.477 119.637 121.223 -0.181 0.000 2.156 395 L HA -0.082 3.839 4.340 -0.698 0.000 0.208 395 L C 2.253 179.110 176.870 -0.023 0.000 1.095 395 L CA 0.926 55.716 54.840 -0.084 0.000 0.770 395 L CB -0.915 41.107 42.059 -0.061 0.000 0.914 395 L HN -0.178 nan 8.230 nan 0.000 0.439 396 V N -0.139 119.761 119.914 -0.023 0.000 2.626 396 V HA -0.207 3.494 4.120 -0.698 0.000 0.252 396 V C 2.478 178.617 176.094 0.076 0.000 1.067 396 V CA 1.527 63.852 62.300 0.041 0.000 1.081 396 V CB -0.638 31.198 31.823 0.023 0.000 0.686 396 V HN 0.418 nan 8.190 nan 0.000 0.468 397 R N 0.021 120.520 120.500 -0.002 0.000 2.200 397 R HA 0.037 3.959 4.340 -0.698 0.000 0.208 397 R C 2.421 178.814 176.300 0.155 0.000 1.033 397 R CA 0.963 57.097 56.100 0.057 0.000 1.000 397 R CB -0.472 29.587 30.300 -0.400 0.000 0.906 397 R HN 0.560 nan 8.270 nan 0.000 0.462 398 G N 1.465 110.303 108.800 0.063 0.000 2.402 398 G HA2 -0.196 3.345 3.960 -0.698 0.000 0.216 398 G HA3 -0.196 3.345 3.960 -0.698 0.000 0.216 398 G C 1.462 176.443 174.900 0.134 0.000 1.162 398 G CA 0.205 45.358 45.100 0.088 0.000 0.777 398 G HN 0.085 nan 8.290 nan 0.000 0.539 399 L N -0.106 121.194 121.223 0.128 0.000 2.042 399 L HA -0.073 3.848 4.340 -0.698 0.000 0.210 399 L C 2.873 179.843 176.870 0.168 0.000 1.076 399 L CA 0.967 55.890 54.840 0.139 0.000 0.749 399 L CB -0.341 41.803 42.059 0.142 0.000 0.893 399 L HN 0.240 nan 8.230 nan 0.000 0.432 400 L N -1.284 120.077 121.223 0.230 0.000 2.209 400 L HA -0.027 3.895 4.340 -0.698 0.000 0.207 400 L C 2.603 179.679 176.870 0.343 0.000 1.094 400 L CA 0.791 55.788 54.840 0.261 0.000 0.790 400 L CB -0.526 41.739 42.059 0.343 0.000 0.932 400 L HN 0.156 nan 8.230 nan 0.000 0.447 401 A N -1.121 121.924 122.820 0.374 0.000 1.997 401 A HA 0.087 3.988 4.320 -0.698 0.000 0.212 401 A C 1.052 178.760 177.584 0.207 0.000 1.178 401 A CA 0.385 52.613 52.037 0.317 0.000 0.698 401 A CB 0.149 19.317 19.000 0.281 0.000 0.842 401 A HN -0.004 nan 8.150 nan 0.000 0.458 402 K N 1.787 122.292 120.400 0.175 0.000 2.154 402 K HA 0.295 4.197 4.320 -0.698 0.000 0.264 402 K C -0.743 175.937 176.600 0.133 0.000 1.008 402 K CA -0.466 55.902 56.287 0.135 0.000 0.937 402 K CB 0.415 32.983 32.500 0.114 0.000 1.002 402 K HN 0.262 nan 8.250 nan 0.000 0.469 403 N N -0.033 118.737 118.700 0.118 0.000 2.434 403 N HA 0.214 4.535 4.740 -0.698 0.000 0.266 403 N C -0.186 175.407 175.510 0.138 0.000 1.223 403 N CA -0.272 52.851 53.050 0.121 0.000 0.972 403 N CB 0.730 39.275 38.487 0.097 0.000 1.207 403 N HN 0.303 nan 8.380 nan 0.000 0.525 404 S N -0.309 115.492 115.700 0.168 0.000 2.672 404 S HA 0.230 4.282 4.470 -0.698 0.000 0.276 404 S C 0.224 174.921 174.600 0.161 0.000 1.207 404 S CA -0.738 57.578 58.200 0.194 0.000 1.002 404 S CB 1.108 64.494 63.200 0.310 0.000 0.998 404 S HN 0.454 nan 8.310 nan 0.000 0.542 405 K N 1.416 121.909 120.400 0.156 0.000 2.276 405 K HA 0.318 4.220 4.320 -0.698 0.000 0.283 405 K C -0.708 175.973 176.600 0.135 0.000 1.044 405 K CA -0.551 55.815 56.287 0.132 0.000 0.944 405 K CB 0.370 32.956 32.500 0.144 0.000 1.012 405 K HN 0.425 nan 8.250 nan 0.000 0.472 406 L N 4.970 126.248 121.223 0.092 0.000 2.349 406 L HA 0.220 4.141 4.340 -0.698 0.000 0.275 406 L C -0.065 176.841 176.870 0.061 0.000 1.115 406 L CA -0.218 54.673 54.840 0.084 0.000 0.820 406 L CB 1.053 43.139 42.059 0.044 0.000 1.135 406 L HN 0.774 nan 8.230 nan 0.000 0.445 407 M N 5.441 125.093 119.600 0.086 0.000 2.252 407 M HA 0.098 4.160 4.480 -0.698 0.000 0.348 407 M C -0.688 175.618 176.300 0.009 0.000 1.334 407 M CA 0.783 56.119 55.300 0.060 0.000 1.071 407 M CB -0.329 32.320 32.600 0.082 0.000 1.763 407 M HN 0.798 nan 8.290 nan 0.000 0.452 408 N N 3.477 122.163 118.700 -0.023 0.000 2.287 408 N HA 0.203 4.525 4.740 -0.698 0.000 0.289 408 N C -0.098 175.383 175.510 -0.047 0.000 1.066 408 N CA -0.245 52.773 53.050 -0.052 0.000 0.841 408 N CB 1.491 39.912 38.487 -0.111 0.000 1.599 408 N HN 0.668 nan 8.380 nan 0.000 0.476 409 Q N 0.724 120.501 119.800 -0.039 0.000 2.226 409 Q HA 0.021 3.942 4.340 -0.698 0.000 0.204 409 Q C 0.499 176.487 176.000 -0.020 0.000 0.975 409 Q CA 1.348 57.132 55.803 -0.031 0.000 0.866 409 Q CB 0.205 28.927 28.738 -0.028 0.000 0.915 409 Q HN 0.544 nan 8.270 nan 0.000 0.440 410 N N -0.072 118.608 118.700 -0.032 0.000 2.236 410 N HA 0.063 4.384 4.740 -0.698 0.000 0.196 410 N C -0.433 175.062 175.510 -0.026 0.000 1.114 410 N CA 0.352 53.394 53.050 -0.014 0.000 0.859 410 N CB 0.758 39.235 38.487 -0.018 0.000 0.982 410 N HN 0.035 nan 8.380 nan 0.000 0.493 411 K N 0.624 120.950 120.400 -0.123 0.000 2.865 411 K HA 0.361 4.262 4.320 -0.698 0.000 0.215 411 K C 0.377 176.881 176.600 -0.160 0.000 1.120 411 K CA -0.064 55.978 56.287 -0.407 0.000 1.037 411 K CB 1.456 33.331 32.500 -1.042 0.000 1.233 411 K HN -0.124 nan 8.250 nan 0.000 0.577 412 M N 0.146 119.861 119.600 0.192 0.000 2.112 412 M HA 0.076 4.137 4.480 -0.698 0.000 0.246 412 M C 0.663 177.146 176.300 0.305 0.000 1.140 412 M CA 1.040 56.449 55.300 0.182 0.000 1.133 412 M CB 0.229 32.905 32.600 0.127 0.000 1.222 412 M HN 0.061 nan 8.290 nan 0.000 0.434 413 V N 1.061 121.191 119.914 0.360 0.000 2.394 413 V HA 0.143 3.845 4.120 -0.698 0.000 0.282 413 V C 0.281 176.537 176.094 0.269 0.000 1.031 413 V CA -0.645 61.850 62.300 0.325 0.000 0.881 413 V CB 1.294 33.301 31.823 0.306 0.000 0.982 413 V HN 0.434 nan 8.190 nan 0.000 0.451 414 T N 3.303 118.012 114.554 0.258 0.000 2.937 414 T HA -0.010 3.921 4.350 -0.698 0.000 0.316 414 T C 1.362 176.039 174.700 -0.038 0.000 1.079 414 T CA 0.348 62.485 62.100 0.061 0.000 1.131 414 T CB 0.677 69.642 68.868 0.161 0.000 1.000 414 T HN 0.799 nan 8.240 nan 0.000 0.549 415 S N 3.216 118.807 115.700 -0.181 0.000 2.537 415 S HA -0.047 4.005 4.470 -0.698 0.000 0.240 415 S C 1.743 176.361 174.600 0.029 0.000 0.981 415 S CA 0.408 58.553 58.200 -0.091 0.000 0.948 415 S CB -0.096 63.014 63.200 -0.150 0.000 0.759 415 S HN 0.722 nan 8.310 nan 0.000 0.531 416 E N 0.779 121.034 120.200 0.091 0.000 2.285 416 E HA 0.103 4.035 4.350 -0.698 0.000 0.194 416 E C 1.614 178.404 176.600 0.317 0.000 0.997 416 E CA 0.494 57.015 56.400 0.201 0.000 0.845 416 E CB -0.002 29.816 29.700 0.196 0.000 0.782 416 E HN 0.488 nan 8.360 nan 0.000 0.491 417 L N -0.443 120.914 121.223 0.224 0.000 2.470 417 L HA 0.158 4.080 4.340 -0.698 0.000 0.219 417 L C 2.407 179.341 176.870 0.107 0.000 1.071 417 L CA 0.136 55.086 54.840 0.183 0.000 0.850 417 L CB 0.192 42.319 42.059 0.113 0.000 1.040 417 L HN -0.092 nan 8.230 nan 0.000 0.475 418 R N -0.509 120.050 120.500 0.098 0.000 2.312 418 R HA 0.054 3.976 4.340 -0.698 0.000 0.205 418 R C 1.094 177.435 176.300 0.069 0.000 0.904 418 R CA 0.383 56.532 56.100 0.082 0.000 1.052 418 R CB 0.415 30.761 30.300 0.077 0.000 1.014 418 R HN 0.270 nan 8.270 nan 0.000 0.503 419 N N -0.261 118.480 118.700 0.069 0.000 2.325 419 N HA 0.072 4.393 4.740 -0.698 0.000 0.220 419 N C -0.172 175.380 175.510 0.070 0.000 1.176 419 N CA 0.493 53.567 53.050 0.040 0.000 0.861 419 N CB 0.841 39.324 38.487 -0.008 0.000 1.230 419 N HN 0.080 nan 8.380 nan 0.000 0.479 420 K N 0.659 121.141 120.400 0.136 0.000 2.592 420 K HA 0.232 4.133 4.320 -0.698 0.000 0.203 420 K C -0.173 176.676 176.600 0.414 0.000 1.070 420 K CA -0.408 56.006 56.287 0.213 0.000 1.062 420 K CB 1.118 33.656 32.500 0.063 0.000 0.814 420 K HN -0.094 nan 8.250 nan 0.000 0.502 421 L N 1.526 122.943 121.223 0.323 0.000 2.514 421 L HA 0.154 4.076 4.340 -0.698 0.000 0.280 421 L C -0.457 176.565 176.870 0.253 0.000 1.223 421 L CA 0.232 55.169 54.840 0.161 0.000 0.864 421 L CB 0.108 42.132 42.059 -0.059 0.000 1.118 421 L HN 0.123 nan 8.230 nan 0.000 0.494 422 F N 4.622 124.538 119.950 -0.057 0.000 2.436 422 F HA 0.444 4.549 4.527 -0.703 0.000 0.340 422 F C -0.251 175.540 175.800 -0.015 0.000 1.113 422 F CA -0.371 57.621 58.000 -0.014 0.000 1.022 422 F CB 0.921 39.836 39.000 -0.142 0.000 1.128 422 F HN 0.491 nan 8.300 nan 0.000 0.466 423 Q N 8.143 127.628 119.800 -0.525 0.000 2.293 423 Q HA 0.241 4.162 4.340 -0.698 0.000 0.261 423 Q C -1.826 173.675 176.000 -0.833 0.000 0.960 423 Q CA -1.884 53.584 55.803 -0.558 0.000 0.882 423 Q CB 2.051 30.293 28.738 -0.827 0.000 1.275 423 Q HN 0.457 nan 8.270 nan 0.000 0.445 424 P HA -0.236 nan 4.420 nan 0.000 0.218 424 P C 0.897 177.808 177.300 -0.647 0.000 1.152 424 P CA 1.696 64.353 63.100 -0.739 0.000 0.857 424 P CB 0.314 31.601 31.700 -0.689 0.000 0.787 425 T N -1.044 113.096 114.554 -0.689 0.000 2.809 425 T HA -0.045 3.886 4.350 -0.698 0.000 0.260 425 T C 1.185 175.441 174.700 -0.739 0.000 1.039 425 T CA 0.889 62.561 62.100 -0.714 0.000 1.141 425 T CB -0.633 67.729 68.868 -0.843 0.000 0.869 425 T HN 0.258 nan 8.240 nan 0.000 0.437 426 H N 0.951 119.780 119.070 -0.401 0.000 2.408 426 H HA 0.348 4.485 4.556 -0.699 0.000 0.352 426 H C 1.070 176.119 175.328 -0.464 0.000 1.607 426 H CA 0.094 55.972 56.048 -0.282 0.000 1.445 426 H CB 0.728 30.502 29.762 0.020 0.000 1.664 426 H HN 0.116 nan 8.280 nan 0.000 0.605 427 K N 0.099 120.460 120.400 -0.066 0.000 2.329 427 K HA 0.103 4.004 4.320 -0.698 0.000 0.198 427 K C 0.545 177.428 176.600 0.471 0.000 1.085 427 K CA 0.200 56.516 56.287 0.049 0.000 0.961 427 K CB 0.430 33.033 32.500 0.171 0.000 0.971 427 K HN 0.368 nan 8.250 nan 0.000 0.502 428 V N 0.349 120.463 119.914 0.334 0.000 2.881 428 V HA 0.157 3.859 4.120 -0.698 0.000 0.303 428 V C -0.257 176.153 176.094 0.527 0.000 1.070 428 V CA -0.476 62.071 62.300 0.412 0.000 1.074 428 V CB 0.771 32.709 31.823 0.191 0.000 1.012 428 V HN 0.206 nan 8.190 nan 0.000 0.482 429 H N 2.641 121.953 119.070 0.403 0.000 2.588 429 H HA 0.585 4.724 4.556 -0.695 0.000 0.223 429 H C 0.893 176.358 175.328 0.227 0.000 1.804 429 H CA 0.310 56.621 56.048 0.438 0.000 1.269 429 H CB 0.376 30.371 29.762 0.388 0.000 1.670 429 H HN 1.007 nan 8.280 nan 0.000 0.539 430 G N 0.437 109.372 108.800 0.225 0.000 4.165 430 G HA2 0.076 3.617 3.960 -0.698 0.000 0.287 430 G HA3 0.076 3.617 3.960 -0.698 0.000 0.287 430 G C -0.265 174.598 174.900 -0.062 0.000 1.019 430 G CA -0.211 44.918 45.100 0.048 0.000 0.806 430 G HN 0.178 nan 8.290 nan 0.000 0.447 431 F N 0.923 120.919 119.950 0.076 0.000 2.378 431 F HA 0.452 4.563 4.527 -0.693 0.000 0.319 431 F C 0.300 176.127 175.800 0.045 0.000 1.155 431 F CA -0.431 57.596 58.000 0.045 0.000 1.157 431 F CB 1.236 40.234 39.000 -0.003 0.000 1.252 431 F HN -0.066 nan 8.300 nan 0.000 0.550 432 D N 2.018 122.562 120.400 0.241 0.000 2.440 432 D HA 0.127 4.349 4.640 -0.698 0.000 0.239 432 D C 0.412 176.772 176.300 0.102 0.000 1.084 432 D CA -0.413 53.672 54.000 0.141 0.000 0.843 432 D CB 1.508 42.380 40.800 0.120 0.000 1.097 432 D HN 0.442 nan 8.370 nan 0.000 0.531 433 L N 4.893 126.134 121.223 0.029 0.000 2.201 433 L HA 0.085 4.007 4.340 -0.698 0.000 0.212 433 L C 1.939 178.744 176.870 -0.108 0.000 1.105 433 L CA 2.083 56.874 54.840 -0.082 0.000 0.775 433 L CB -0.455 41.481 42.059 -0.206 0.000 0.913 433 L HN 0.509 nan 8.230 nan 0.000 0.440 434 A N -0.312 122.510 122.820 0.003 0.000 1.873 434 A HA -0.041 3.860 4.320 -0.698 0.000 0.215 434 A C 2.463 180.022 177.584 -0.042 0.000 1.186 434 A CA 1.617 53.674 52.037 0.034 0.000 0.616 434 A CB -1.123 18.041 19.000 0.273 0.000 0.823 434 A HN 0.542 nan 8.150 nan 0.000 0.442 435 A N 0.028 122.863 122.820 0.025 0.000 1.902 435 A HA -0.055 3.846 4.320 -0.698 0.000 0.217 435 A C 2.057 179.621 177.584 -0.034 0.000 1.181 435 A CA 1.499 53.540 52.037 0.008 0.000 0.623 435 A CB -0.528 18.488 19.000 0.027 0.000 0.818 435 A HN 0.420 nan 8.150 nan 0.000 0.443 436 I N 0.582 121.164 120.570 0.020 0.000 2.208 436 I HA -0.302 3.449 4.170 -0.698 0.000 0.245 436 I C 2.073 178.235 176.117 0.074 0.000 1.097 436 I CA 1.942 63.324 61.300 0.137 0.000 1.363 436 I CB -1.616 36.457 38.000 0.122 0.000 1.051 436 I HN 0.489 nan 8.210 nan 0.000 0.413 437 N N 0.800 119.386 118.700 -0.191 0.000 2.084 437 N HA -0.168 4.154 4.740 -0.698 0.000 0.190 437 N C 2.001 177.446 175.510 -0.108 0.000 1.030 437 N CA 0.902 53.761 53.050 -0.318 0.000 0.849 437 N CB -0.145 37.616 38.487 -1.211 0.000 1.012 437 N HN 0.254 nan 8.380 nan 0.000 0.423 438 L N 0.497 121.649 121.223 -0.118 0.000 2.131 438 L HA -0.198 3.723 4.340 -0.698 0.000 0.210 438 L C 2.523 179.392 176.870 -0.003 0.000 1.092 438 L CA 1.057 55.913 54.840 0.028 0.000 0.759 438 L CB -0.239 41.877 42.059 0.094 0.000 0.903 438 L HN 0.240 nan 8.230 nan 0.000 0.435 439 Q N -0.031 119.698 119.800 -0.119 0.000 2.187 439 Q HA -0.179 3.742 4.340 -0.698 0.000 0.199 439 Q C 2.177 178.190 176.000 0.021 0.000 0.957 439 Q CA 1.077 56.679 55.803 -0.335 0.000 0.857 439 Q CB 0.050 28.097 28.738 -1.151 0.000 0.929 439 Q HN 0.103 nan 8.270 nan 0.000 0.453 440 R N -0.952 119.719 120.500 0.285 0.000 2.115 440 R HA -0.023 3.898 4.340 -0.698 0.000 0.230 440 R C 1.983 178.509 176.300 0.376 0.000 1.111 440 R CA 1.393 57.843 56.100 0.583 0.000 0.976 440 R CB -0.916 29.735 30.300 0.584 0.000 0.870 440 R HN 0.383 nan 8.270 nan 0.000 0.445 441 C N -0.184 119.118 119.300 0.003 0.000 2.432 441 C HA -0.027 4.015 4.460 -0.698 0.000 0.277 441 C C 2.485 177.404 174.990 -0.118 0.000 1.249 441 C CA 0.984 59.672 59.018 -0.549 0.000 1.725 441 C CB -0.743 26.799 27.740 -0.332 0.000 2.028 441 C HN 0.520 nan 8.230 nan 0.000 0.477 442 R N 0.446 121.014 120.500 0.113 0.000 2.075 442 R HA -0.131 3.791 4.340 -0.698 0.000 0.232 442 R C 1.884 178.392 176.300 0.346 0.000 1.126 442 R CA 1.774 58.026 56.100 0.254 0.000 0.963 442 R CB -0.506 30.002 30.300 0.346 0.000 0.858 442 R HN 0.530 nan 8.270 nan 0.000 0.435 443 D N 0.302 120.984 120.400 0.470 0.000 2.123 443 D HA -0.183 4.038 4.640 -0.698 0.000 0.196 443 D C 1.470 178.039 176.300 0.448 0.000 0.992 443 D CA 1.380 55.690 54.000 0.515 0.000 0.833 443 D CB -0.098 41.127 40.800 0.708 0.000 0.954 443 D HN 0.378 nan 8.370 nan 0.000 0.455 444 H N -1.319 117.922 119.070 0.285 0.000 2.556 444 H HA 0.153 4.293 4.556 -0.693 0.000 0.268 444 H C 1.254 176.596 175.328 0.025 0.000 0.996 444 H CA 0.547 56.736 56.048 0.235 0.000 1.157 444 H CB 0.300 30.270 29.762 0.346 0.000 1.355 444 H HN 0.355 nan 8.280 nan 0.000 0.597 445 G N 1.158 109.941 108.800 -0.029 0.000 2.143 445 G HA2 -0.268 3.274 3.960 -0.698 0.000 0.248 445 G HA3 -0.268 3.274 3.960 -0.698 0.000 0.248 445 G C 0.369 175.140 174.900 -0.215 0.000 0.991 445 G CA -0.026 44.753 45.100 -0.534 0.000 0.689 445 G HN 0.111 nan 8.290 nan 0.000 0.522 446 M N 0.312 119.876 119.600 -0.060 0.000 2.248 446 M HA 0.152 4.214 4.480 -0.698 0.000 0.343 446 M C -1.734 174.606 176.300 0.066 0.000 1.243 446 M CA -0.999 54.324 55.300 0.039 0.000 1.025 446 M CB -0.427 32.130 32.600 -0.071 0.000 1.759 446 M HN 0.013 nan 8.290 nan 0.000 0.452 447 P HA 0.255 nan 4.420 nan 0.000 0.276 447 P C 0.214 177.509 177.300 -0.008 0.000 1.261 447 P CA -0.358 62.684 63.100 -0.097 0.000 0.800 447 P CB 0.522 31.990 31.700 -0.387 0.000 1.066 448 G N -0.477 108.282 108.800 -0.068 0.000 2.712 448 G HA2 -0.117 3.424 3.960 -0.698 0.000 0.258 448 G HA3 -0.117 3.424 3.960 -0.698 0.000 0.258 448 G C 0.363 175.348 174.900 0.143 0.000 1.241 448 G CA 0.003 45.115 45.100 0.020 0.000 0.923 448 G HN 0.483 nan 8.290 nan 0.000 0.548 449 Y N 0.279 120.598 120.300 0.032 0.000 2.165 449 Y HA -0.209 3.921 4.550 -0.701 0.000 0.286 449 Y C 2.637 178.595 175.900 0.097 0.000 1.155 449 Y CA 2.472 60.625 58.100 0.089 0.000 1.164 449 Y CB -0.109 38.335 38.460 -0.027 0.000 0.978 449 Y HN 0.429 nan 8.280 nan 0.000 0.513 450 N N -0.254 118.429 118.700 -0.028 0.000 2.188 450 N HA -0.149 4.173 4.740 -0.698 0.000 0.184 450 N C 1.980 177.412 175.510 -0.131 0.000 1.018 450 N CA 1.470 54.439 53.050 -0.135 0.000 0.858 450 N CB -0.440 38.025 38.487 -0.037 0.000 0.989 450 N HN 0.358 nan 8.380 nan 0.000 0.426 451 S N 0.029 115.625 115.700 -0.174 0.000 2.359 451 S HA -0.136 3.916 4.470 -0.698 0.000 0.224 451 S C 1.772 176.244 174.600 -0.214 0.000 1.035 451 S CA 1.042 59.080 58.200 -0.271 0.000 1.018 451 S CB -0.508 62.398 63.200 -0.490 0.000 0.876 451 S HN 0.503 nan 8.310 nan 0.000 0.448 452 W N 1.915 123.202 121.300 -0.022 0.000 2.358 452 W HA -0.031 4.219 4.660 -0.683 0.000 0.303 452 W C 2.696 179.222 176.519 0.011 0.000 1.208 452 W CA 0.073 57.426 57.345 0.014 0.000 1.274 452 W CB -0.174 29.261 29.460 -0.041 0.000 1.138 452 W HN 0.102 nan 8.180 nan 0.000 0.515 453 R N 0.260 120.773 120.500 0.021 0.000 2.097 453 R HA -0.160 3.761 4.340 -0.698 0.000 0.236 453 R C 2.358 178.689 176.300 0.052 0.000 1.135 453 R CA 1.807 57.859 56.100 -0.079 0.000 0.934 453 R CB -1.732 28.398 30.300 -0.284 0.000 0.846 453 R HN 0.371 nan 8.270 nan 0.000 0.431 454 G N 0.674 109.492 108.800 0.031 0.000 2.514 454 G HA2 -0.329 3.212 3.960 -0.698 0.000 0.217 454 G HA3 -0.329 3.212 3.960 -0.698 0.000 0.217 454 G C 1.430 176.396 174.900 0.111 0.000 1.198 454 G CA 0.846 45.973 45.100 0.045 0.000 0.780 454 G HN 0.359 nan 8.290 nan 0.000 0.565 455 F N 1.109 121.077 119.950 0.029 0.000 2.141 455 F HA -0.238 3.871 4.527 -0.696 0.000 0.300 455 F C 2.144 178.023 175.800 0.132 0.000 1.079 455 F CA 1.654 59.711 58.000 0.095 0.000 1.264 455 F CB -0.249 38.895 39.000 0.240 0.000 1.011 455 F HN 0.178 nan 8.300 nan 0.000 0.487 456 c N 0.893 119.645 118.600 0.253 0.000 2.673 456 c HA 0.444 4.595 4.570 -0.698 0.000 0.274 456 c C 1.426 175.590 174.090 0.123 0.000 1.276 456 c CA 0.362 56.798 56.329 0.179 0.000 1.701 456 c CB -1.346 41.316 42.510 0.253 0.000 1.836 456 c HN 0.878 nan 8.230 nan 0.000 0.596 457 G N 1.687 110.520 108.800 0.056 0.000 2.351 457 G HA2 -0.212 3.330 3.960 -0.698 0.000 0.297 457 G HA3 -0.212 3.330 3.960 -0.698 0.000 0.297 457 G C -0.426 174.503 174.900 0.050 0.000 1.054 457 G CA 0.104 45.224 45.100 0.034 0.000 1.123 457 G HN 0.555 nan 8.290 nan 0.000 0.512 458 L N -0.190 121.059 121.223 0.043 0.000 2.350 458 L HA 0.651 4.573 4.340 -0.698 0.000 0.260 458 L C 1.117 177.993 176.870 0.010 0.000 1.015 458 L CA -0.821 54.039 54.840 0.034 0.000 0.821 458 L CB 2.002 44.083 42.059 0.038 0.000 1.370 458 L HN 0.447 nan 8.230 nan 0.000 0.416 459 S N 0.378 116.086 115.700 0.013 0.000 2.558 459 S HA 0.027 4.079 4.470 -0.698 0.000 0.293 459 S C -0.165 174.433 174.600 -0.003 0.000 1.292 459 S CA -0.347 57.859 58.200 0.010 0.000 1.063 459 S CB 0.302 63.515 63.200 0.022 0.000 0.831 459 S HN 0.621 nan 8.310 nan 0.000 0.499 460 Q N 3.362 123.160 119.800 -0.003 0.000 2.569 460 Q HA 0.281 4.202 4.340 -0.698 0.000 0.226 460 Q C -2.185 173.829 176.000 0.023 0.000 1.136 460 Q CA -2.103 53.694 55.803 -0.011 0.000 0.947 460 Q CB 0.674 29.402 28.738 -0.017 0.000 1.218 460 Q HN 0.603 nan 8.270 nan 0.000 0.547 461 P HA -0.118 nan 4.420 nan 0.000 0.260 461 P C -0.328 177.009 177.300 0.063 0.000 1.172 461 P CA 0.273 63.415 63.100 0.071 0.000 0.760 461 P CB 0.980 32.750 31.700 0.116 0.000 0.773 462 K N 1.006 121.433 120.400 0.046 0.000 2.380 462 K HA 0.135 4.036 4.320 -0.698 0.000 0.198 462 K C 1.085 177.707 176.600 0.037 0.000 1.070 462 K CA 0.540 56.852 56.287 0.042 0.000 1.040 462 K CB 0.579 33.101 32.500 0.036 0.000 0.903 462 K HN 0.616 nan 8.250 nan 0.000 0.549 463 T N -3.035 111.539 114.554 0.033 0.000 2.887 463 T HA 0.343 4.275 4.350 -0.698 0.000 0.292 463 T C 1.022 175.733 174.700 0.020 0.000 1.087 463 T CA -0.866 61.250 62.100 0.026 0.000 1.009 463 T CB 1.407 70.290 68.868 0.025 0.000 1.203 463 T HN -0.100 nan 8.240 nan 0.000 0.518 464 L N 0.268 121.499 121.223 0.013 0.000 2.046 464 L HA 0.002 3.924 4.340 -0.698 0.000 0.208 464 L C 2.577 179.454 176.870 0.012 0.000 1.077 464 L CA 1.851 56.696 54.840 0.009 0.000 0.747 464 L CB -0.475 41.588 42.059 0.006 0.000 0.896 464 L HN 0.829 nan 8.230 nan 0.000 0.432 465 K N -0.027 120.382 120.400 0.015 0.000 2.097 465 K HA -0.116 3.785 4.320 -0.698 0.000 0.206 465 K C 1.826 178.438 176.600 0.019 0.000 1.049 465 K CA 1.511 57.807 56.287 0.015 0.000 0.933 465 K CB -0.517 31.992 32.500 0.015 0.000 0.717 465 K HN 0.422 nan 8.250 nan 0.000 0.442 466 G N 0.437 109.251 108.800 0.024 0.000 2.394 466 G HA2 -0.191 3.351 3.960 -0.698 0.000 0.214 466 G HA3 -0.191 3.351 3.960 -0.698 0.000 0.214 466 G C 1.371 176.295 174.900 0.039 0.000 1.176 466 G CA 0.658 45.777 45.100 0.032 0.000 0.786 466 G HN 0.283 nan 8.290 nan 0.000 0.533 467 L N 0.699 121.945 121.223 0.038 0.000 2.013 467 L HA -0.133 3.788 4.340 -0.698 0.000 0.212 467 L C 2.947 179.831 176.870 0.024 0.000 1.073 467 L CA 2.093 56.956 54.840 0.039 0.000 0.753 467 L CB -0.765 41.302 42.059 0.013 0.000 0.890 467 L HN 0.328 nan 8.230 nan 0.000 0.432 468 Q N -0.884 118.925 119.800 0.015 0.000 2.062 468 Q HA -0.294 3.627 4.340 -0.698 0.000 0.209 468 Q C 2.242 178.252 176.000 0.016 0.000 0.996 468 Q CA 2.060 57.869 55.803 0.010 0.000 0.859 468 Q CB -0.496 28.248 28.738 0.009 0.000 0.920 468 Q HN 0.720 nan 8.270 nan 0.000 0.415 469 A N 0.280 123.113 122.820 0.022 0.000 1.892 469 A HA -0.188 3.713 4.320 -0.698 0.000 0.218 469 A C 2.317 179.920 177.584 0.031 0.000 1.188 469 A CA 1.871 53.922 52.037 0.024 0.000 0.631 469 A CB -0.777 18.239 19.000 0.026 0.000 0.822 469 A HN 0.251 nan 8.150 nan 0.000 0.447 470 V N -0.929 119.012 119.914 0.045 0.000 2.453 470 V HA -0.143 3.559 4.120 -0.698 0.000 0.247 470 V C 2.167 178.290 176.094 0.048 0.000 1.048 470 V CA 1.519 63.856 62.300 0.062 0.000 1.049 470 V CB -0.604 31.285 31.823 0.111 0.000 0.672 470 V HN 0.431 nan 8.190 nan 0.000 0.457 471 L N -0.720 120.519 121.223 0.027 0.000 2.529 471 L HA 0.237 4.159 4.340 -0.698 0.000 0.223 471 L C 1.124 177.995 176.870 0.002 0.000 1.113 471 L CA 0.470 55.313 54.840 0.005 0.000 0.861 471 L CB -1.005 41.042 42.059 -0.020 0.000 1.012 471 L HN 0.327 nan 8.230 nan 0.000 0.461 472 K N 1.448 121.853 120.400 0.007 0.000 3.278 472 K HA -0.240 3.661 4.320 -0.698 0.000 0.270 472 K C -0.048 176.551 176.600 -0.001 0.000 0.955 472 K CA 0.537 56.827 56.287 0.005 0.000 0.723 472 K CB -1.431 31.072 32.500 0.004 0.000 1.382 472 K HN 0.373 nan 8.250 nan 0.000 0.461 473 N N 0.222 118.920 118.700 -0.002 0.000 2.976 473 N HA 0.083 4.404 4.740 -0.698 0.000 0.249 473 N C -0.003 175.504 175.510 -0.004 0.000 1.258 473 N CA -0.445 52.602 53.050 -0.005 0.000 0.864 473 N CB 0.965 39.446 38.487 -0.011 0.000 1.551 473 N HN -0.014 nan 8.380 nan 0.000 0.607 474 K N 0.840 121.240 120.400 -0.001 0.000 2.097 474 K HA 0.016 3.917 4.320 -0.698 0.000 0.205 474 K C 1.688 178.288 176.600 -0.000 0.000 1.050 474 K CA 1.354 57.641 56.287 0.000 0.000 0.938 474 K CB 0.304 32.806 32.500 0.002 0.000 0.718 474 K HN 0.286 nan 8.250 nan 0.000 0.442 475 V N 1.187 121.101 119.914 0.000 0.000 2.379 475 V HA -0.184 3.517 4.120 -0.698 0.000 0.245 475 V C 2.049 178.144 176.094 0.001 0.000 1.044 475 V CA 1.300 63.601 62.300 0.002 0.000 1.036 475 V CB -0.375 31.451 31.823 0.004 0.000 0.664 475 V HN 0.256 nan 8.190 nan 0.000 0.453 476 L N 1.359 122.580 121.223 -0.004 0.000 2.056 476 L HA 0.047 3.969 4.340 -0.698 0.000 0.207 476 L C 2.419 179.281 176.870 -0.013 0.000 1.078 476 L CA 2.289 57.124 54.840 -0.007 0.000 0.749 476 L CB -1.025 41.023 42.059 -0.018 0.000 0.901 476 L HN 0.173 nan 8.230 nan 0.000 0.433 477 A N -0.517 122.293 122.820 -0.017 0.000 1.978 477 A HA -0.256 3.646 4.320 -0.698 0.000 0.220 477 A C 2.463 180.042 177.584 -0.009 0.000 1.170 477 A CA 2.004 54.028 52.037 -0.021 0.000 0.636 477 A CB -0.601 18.390 19.000 -0.015 0.000 0.810 477 A HN 0.557 nan 8.150 nan 0.000 0.448 478 K N -0.246 120.153 120.400 -0.003 0.000 2.076 478 K HA -0.056 3.845 4.320 -0.698 0.000 0.204 478 K C 1.942 178.545 176.600 0.005 0.000 1.051 478 K CA 1.218 57.505 56.287 0.001 0.000 0.949 478 K CB -0.115 32.386 32.500 0.002 0.000 0.726 478 K HN 0.437 nan 8.250 nan 0.000 0.443 479 K N 0.529 120.934 120.400 0.009 0.000 2.057 479 K HA -0.133 3.768 4.320 -0.698 0.000 0.206 479 K C 2.033 178.652 176.600 0.031 0.000 1.050 479 K CA 0.823 57.118 56.287 0.014 0.000 0.935 479 K CB -0.148 32.363 32.500 0.019 0.000 0.715 479 K HN 0.028 nan 8.250 nan 0.000 0.439 480 L N 1.495 122.744 121.223 0.044 0.000 1.963 480 L HA -0.205 3.716 4.340 -0.698 0.000 0.220 480 L C 2.114 179.068 176.870 0.140 0.000 1.076 480 L CA 1.715 56.619 54.840 0.105 0.000 0.772 480 L CB -0.838 41.232 42.059 0.018 0.000 0.892 480 L HN 0.197 nan 8.230 nan 0.000 0.435 481 L N -0.945 120.308 121.223 0.051 0.000 2.201 481 L HA -0.189 3.732 4.340 -0.698 0.000 0.212 481 L C 1.895 178.754 176.870 -0.018 0.000 1.105 481 L CA 0.700 55.551 54.840 0.017 0.000 0.775 481 L CB -0.569 41.480 42.059 -0.016 0.000 0.913 481 L HN 0.278 nan 8.230 nan 0.000 0.440 482 D N -0.121 120.271 120.400 -0.014 0.000 2.264 482 D HA -0.101 4.121 4.640 -0.698 0.000 0.208 482 D C 2.240 178.505 176.300 -0.059 0.000 0.966 482 D CA 0.969 54.950 54.000 -0.032 0.000 0.864 482 D CB 0.164 40.953 40.800 -0.019 0.000 0.933 482 D HN 0.284 nan 8.370 nan 0.000 0.499 483 L N -1.258 119.922 121.223 -0.072 0.000 2.253 483 L HA -0.004 3.918 4.340 -0.698 0.000 0.205 483 L C 1.474 178.168 176.870 -0.294 0.000 1.078 483 L CA 0.515 55.244 54.840 -0.184 0.000 0.805 483 L CB 0.141 42.057 42.059 -0.238 0.000 0.963 483 L HN 0.006 nan 8.230 nan 0.000 0.459 484 Y N -0.560 119.676 120.300 -0.107 0.000 2.509 484 Y HA 0.022 4.153 4.550 -0.699 0.000 0.270 484 Y C 1.198 176.907 175.900 -0.318 0.000 1.103 484 Y CA -0.273 57.739 58.100 -0.147 0.000 1.278 484 Y CB 0.445 38.837 38.460 -0.114 0.000 1.087 484 Y HN -0.055 nan 8.280 nan 0.000 0.542 485 K N -0.268 119.987 120.400 -0.241 0.000 3.596 485 K HA -0.235 3.666 4.320 -0.698 0.000 0.295 485 K C 0.159 176.378 176.600 -0.635 0.000 1.230 485 K CA 1.492 57.432 56.287 -0.578 0.000 1.029 485 K CB -1.928 29.883 32.500 -1.149 0.000 1.303 485 K HN 0.387 nan 8.250 nan 0.000 0.442 486 T N -1.302 113.038 114.554 -0.357 0.000 3.289 486 T HA 0.373 4.304 4.350 -0.698 0.000 0.370 486 T C -2.686 171.974 174.700 -0.068 0.000 1.546 486 T CA -0.752 61.243 62.100 -0.174 0.000 1.144 486 T CB 1.761 70.562 68.868 -0.111 0.000 1.379 486 T HN -0.259 nan 8.240 nan 0.000 0.478 487 P HA 0.004 nan 4.420 nan 0.000 0.223 487 P C 0.818 178.148 177.300 0.050 0.000 1.144 487 P CA 0.778 63.887 63.100 0.015 0.000 0.783 487 P CB 0.172 31.918 31.700 0.077 0.000 0.771 488 D N -1.261 119.157 120.400 0.031 0.000 2.312 488 D HA -0.057 4.164 4.640 -0.698 0.000 0.211 488 D C 1.200 177.494 176.300 -0.010 0.000 0.964 488 D CA 0.863 54.877 54.000 0.024 0.000 0.877 488 D CB -0.343 40.473 40.800 0.026 0.000 0.924 488 D HN 0.169 nan 8.370 nan 0.000 0.515 489 N N -0.048 118.635 118.700 -0.027 0.000 2.325 489 N HA 0.115 4.437 4.740 -0.698 0.000 0.182 489 N C 0.522 175.934 175.510 -0.165 0.000 1.088 489 N CA -0.102 52.930 53.050 -0.030 0.000 0.879 489 N CB 0.668 39.205 38.487 0.083 0.000 0.983 489 N HN 0.189 nan 8.380 nan 0.000 0.471 490 I N 1.867 122.158 120.570 -0.464 0.000 2.826 490 I HA -0.119 3.632 4.170 -0.698 0.000 0.295 490 I C 0.204 176.073 176.117 -0.412 0.000 1.213 490 I CA 0.459 61.144 61.300 -1.026 0.000 1.436 490 I CB 0.279 37.824 38.000 -0.758 0.000 1.348 490 I HN -0.020 nan 8.210 nan 0.000 0.570 491 D N 6.148 126.357 120.400 -0.319 0.000 2.425 491 D HA -0.016 4.205 4.640 -0.698 0.000 0.247 491 D C 1.174 177.513 176.300 0.065 0.000 1.147 491 D CA -0.161 53.845 54.000 0.009 0.000 0.879 491 D CB 1.474 42.368 40.800 0.156 0.000 1.179 491 D HN 0.421 nan 8.370 nan 0.000 0.456 492 I N 3.134 123.781 120.570 0.130 0.000 2.181 492 I HA -0.275 3.476 4.170 -0.698 0.000 0.247 492 I C 1.834 178.045 176.117 0.157 0.000 1.081 492 I CA 1.552 62.949 61.300 0.162 0.000 1.340 492 I CB -0.282 37.747 38.000 0.049 0.000 1.036 492 I HN 0.640 nan 8.210 nan 0.000 0.417 493 W N 0.612 121.918 121.300 0.011 0.000 2.332 493 W HA -0.255 3.975 4.660 -0.716 0.000 0.321 493 W C 2.471 179.017 176.519 0.045 0.000 1.219 493 W CA 2.361 59.740 57.345 0.057 0.000 1.277 493 W CB -0.707 28.820 29.460 0.112 0.000 1.161 493 W HN 0.284 nan 8.180 nan 0.000 0.476 494 I N 0.833 121.444 120.570 0.069 0.000 2.353 494 I HA 0.024 3.776 4.170 -0.698 0.000 0.248 494 I C 2.371 178.343 176.117 -0.241 0.000 1.119 494 I CA 2.343 63.536 61.300 -0.178 0.000 1.417 494 I CB -1.112 36.932 38.000 0.074 0.000 1.078 494 I HN 0.066 nan 8.210 nan 0.000 0.421 495 G N -0.151 108.506 108.800 -0.239 0.000 2.402 495 G HA2 -0.152 3.389 3.960 -0.698 0.000 0.216 495 G HA3 -0.152 3.389 3.960 -0.698 0.000 0.216 495 G C 1.665 176.400 174.900 -0.275 0.000 1.162 495 G CA 0.581 45.378 45.100 -0.505 0.000 0.777 495 G HN 0.554 nan 8.290 nan 0.000 0.539 496 G N 1.041 109.834 108.800 -0.012 0.000 2.453 496 G HA2 -0.247 3.294 3.960 -0.698 0.000 0.215 496 G HA3 -0.247 3.294 3.960 -0.698 0.000 0.215 496 G C 1.636 176.500 174.900 -0.060 0.000 1.201 496 G CA 1.052 46.189 45.100 0.061 0.000 0.784 496 G HN 0.511 nan 8.290 nan 0.000 0.545 497 N N 0.864 119.446 118.700 -0.196 0.000 2.519 497 N HA 0.094 4.415 4.740 -0.698 0.000 0.186 497 N C 2.109 177.516 175.510 -0.171 0.000 1.062 497 N CA 0.731 53.648 53.050 -0.221 0.000 0.910 497 N CB -0.041 38.185 38.487 -0.435 0.000 0.958 497 N HN 0.370 nan 8.380 nan 0.000 0.445 498 A N 0.484 123.199 122.820 -0.175 0.000 2.072 498 A HA 0.010 3.912 4.320 -0.698 0.000 0.216 498 A C 0.780 178.315 177.584 -0.082 0.000 1.156 498 A CA 0.373 52.326 52.037 -0.140 0.000 0.701 498 A CB 0.037 18.929 19.000 -0.180 0.000 0.816 498 A HN 0.255 nan 8.150 nan 0.000 0.458 499 E N 0.532 120.704 120.200 -0.048 0.000 2.408 499 E HA 0.222 4.154 4.350 -0.698 0.000 0.259 499 E C -2.345 174.249 176.600 -0.010 0.000 1.110 499 E CA -1.615 54.785 56.400 -0.000 0.000 0.929 499 E CB 0.101 29.833 29.700 0.054 0.000 0.971 499 E HN 0.223 nan 8.360 nan 0.000 0.438 500 P HA 0.057 nan 4.420 nan 0.000 0.276 500 P C -0.742 176.555 177.300 -0.005 0.000 1.252 500 P CA 0.016 63.114 63.100 -0.005 0.000 0.802 500 P CB 0.575 32.275 31.700 0.001 0.000 1.035 501 M N 0.978 120.573 119.600 -0.009 0.000 2.185 501 M HA 0.184 4.246 4.480 -0.698 0.000 0.357 501 M C 0.412 176.705 176.300 -0.011 0.000 1.260 501 M CA -0.758 54.533 55.300 -0.015 0.000 1.124 501 M CB 0.684 33.275 32.600 -0.016 0.000 1.600 501 M HN 0.133 nan 8.290 nan 0.000 0.467 502 V N 0.347 120.254 119.914 -0.012 0.000 3.625 502 V HA 0.086 3.787 4.120 -0.698 0.000 0.302 502 V C 0.314 176.401 176.094 -0.011 0.000 1.112 502 V CA -0.561 61.738 62.300 -0.001 0.000 1.173 502 V CB 0.225 32.053 31.823 0.009 0.000 1.096 502 V HN 0.933 nan 8.190 nan 0.000 0.486 503 E N 1.344 121.540 120.200 -0.006 0.000 2.376 503 E HA 0.151 4.082 4.350 -0.698 0.000 0.266 503 E C 0.525 177.110 176.600 -0.026 0.000 1.009 503 E CA 0.061 56.452 56.400 -0.014 0.000 0.902 503 E CB 0.118 29.813 29.700 -0.009 0.000 0.972 503 E HN 0.703 nan 8.360 nan 0.000 0.439 504 R N 1.039 121.517 120.500 -0.037 0.000 4.000 504 R HA -0.203 3.718 4.340 -0.698 0.000 0.362 504 R C 0.272 176.530 176.300 -0.071 0.000 1.183 504 R CA 0.839 56.907 56.100 -0.054 0.000 1.011 504 R CB -2.129 28.141 30.300 -0.050 0.000 1.501 504 R HN 0.643 nan 8.270 nan 0.000 0.553 505 G N -0.650 108.112 108.800 -0.062 0.000 2.938 505 G HA2 0.590 4.131 3.960 -0.698 0.000 0.258 505 G HA3 0.590 4.131 3.960 -0.698 0.000 0.258 505 G C 0.295 175.158 174.900 -0.062 0.000 1.356 505 G CA -0.579 44.475 45.100 -0.077 0.000 1.052 505 G HN 0.008 nan 8.290 nan 0.000 0.550 506 R N -0.496 119.973 120.500 -0.050 0.000 2.629 506 R HA 0.308 4.230 4.340 -0.698 0.000 0.408 506 R C -0.408 175.867 176.300 -0.042 0.000 1.057 506 R CA -0.086 56.026 56.100 0.019 0.000 1.119 506 R CB 0.309 30.733 30.300 0.207 0.000 1.403 506 R HN 0.614 nan 8.270 nan 0.000 0.576 507 V N -4.402 115.441 119.914 -0.118 0.000 3.120 507 V HA 0.870 4.572 4.120 -0.698 0.000 0.303 507 V C 0.161 176.195 176.094 -0.100 0.000 1.238 507 V CA -1.075 61.131 62.300 -0.158 0.000 1.008 507 V CB 1.721 33.333 31.823 -0.352 0.000 1.064 507 V HN 0.070 nan 8.190 nan 0.000 0.434 508 G N 0.826 109.585 108.800 -0.069 0.000 2.543 508 G HA2 0.586 4.128 3.960 -0.698 0.000 0.290 508 G HA3 0.586 4.128 3.960 -0.698 0.000 0.290 508 G C -1.733 173.155 174.900 -0.020 0.000 1.310 508 G CA -1.024 44.059 45.100 -0.029 0.000 1.025 508 G HN 0.652 nan 8.290 nan 0.000 0.502 509 P HA -0.184 nan 4.420 nan 0.000 0.218 509 P C 2.074 179.389 177.300 0.025 0.000 1.165 509 P CA 0.978 64.107 63.100 0.048 0.000 0.922 509 P CB 0.078 31.819 31.700 0.068 0.000 0.794 510 L N -1.495 119.746 121.223 0.030 0.000 2.093 510 L HA -0.088 3.834 4.340 -0.698 0.000 0.208 510 L C 2.193 179.031 176.870 -0.053 0.000 1.085 510 L CA 1.695 56.544 54.840 0.016 0.000 0.755 510 L CB -1.290 40.805 42.059 0.060 0.000 0.904 510 L HN -0.081 nan 8.230 nan 0.000 0.435 511 L N -1.010 120.168 121.223 -0.074 0.000 2.109 511 L HA -0.077 3.845 4.340 -0.698 0.000 0.207 511 L C 2.633 179.378 176.870 -0.209 0.000 1.086 511 L CA 0.880 55.640 54.840 -0.133 0.000 0.760 511 L CB -0.840 41.135 42.059 -0.141 0.000 0.910 511 L HN 0.337 nan 8.230 nan 0.000 0.437 512 A N -0.433 122.260 122.820 -0.212 0.000 1.917 512 A HA -0.320 3.581 4.320 -0.698 0.000 0.219 512 A C 2.533 179.767 177.584 -0.584 0.000 1.182 512 A CA 2.037 53.909 52.037 -0.275 0.000 0.633 512 A CB -1.292 17.632 19.000 -0.127 0.000 0.819 512 A HN 0.608 nan 8.150 nan 0.000 0.448 513 c N -0.479 117.738 118.600 -0.639 0.000 2.442 513 c HA -0.060 4.091 4.570 -0.698 0.000 0.279 513 c C 2.588 176.267 174.090 -0.684 0.000 1.237 513 c CA 1.266 56.896 56.329 -1.164 0.000 1.722 513 c CB -1.600 40.594 42.510 -0.526 0.000 2.056 513 c HN 0.588 nan 8.230 nan 0.000 0.469 514 L N 0.576 121.657 121.223 -0.237 0.000 1.971 514 L HA -0.188 3.733 4.340 -0.698 0.000 0.215 514 L C 2.783 179.695 176.870 0.069 0.000 1.072 514 L CA 1.997 56.848 54.840 0.017 0.000 0.758 514 L CB -0.799 41.218 42.059 -0.069 0.000 0.889 514 L HN 0.447 nan 8.230 nan 0.000 0.433 515 L N -0.667 120.543 121.223 -0.021 0.000 1.989 515 L HA -0.173 3.749 4.340 -0.698 0.000 0.211 515 L C 2.733 179.683 176.870 0.132 0.000 1.071 515 L CA 1.531 56.442 54.840 0.118 0.000 0.749 515 L CB -1.520 40.535 42.059 -0.006 0.000 0.890 515 L HN 0.381 nan 8.230 nan 0.000 0.431 516 G N 1.132 109.870 108.800 -0.104 0.000 2.599 516 G HA2 -0.330 3.211 3.960 -0.698 0.000 0.219 516 G HA3 -0.330 3.211 3.960 -0.698 0.000 0.219 516 G C 1.602 176.578 174.900 0.126 0.000 1.193 516 G CA 1.367 46.422 45.100 -0.075 0.000 0.778 516 G HN 0.486 nan 8.290 nan 0.000 0.589 517 R N -0.049 120.488 120.500 0.063 0.000 2.148 517 R HA 0.047 3.969 4.340 -0.698 0.000 0.223 517 R C 2.338 178.772 176.300 0.224 0.000 1.088 517 R CA 1.435 57.659 56.100 0.207 0.000 0.985 517 R CB -0.481 29.903 30.300 0.139 0.000 0.880 517 R HN 0.453 nan 8.270 nan 0.000 0.451 518 Q N 1.163 121.091 119.800 0.214 0.000 2.020 518 Q HA -0.111 3.811 4.340 -0.698 0.000 0.202 518 Q C 1.634 177.521 176.000 -0.187 0.000 0.982 518 Q CA 1.752 57.512 55.803 -0.072 0.000 0.838 518 Q CB -0.305 28.001 28.738 -0.720 0.000 0.899 518 Q HN 0.313 nan 8.270 nan 0.000 0.423 519 F N 0.942 120.870 119.950 -0.038 0.000 2.202 519 F HA -0.179 3.909 4.527 -0.731 0.000 0.301 519 F C 2.485 178.389 175.800 0.174 0.000 1.082 519 F CA 1.578 59.603 58.000 0.042 0.000 1.313 519 F CB -0.486 38.447 39.000 -0.111 0.000 1.024 519 F HN 0.312 nan 8.300 nan 0.000 0.495 520 Q N 0.717 120.695 119.800 0.298 0.000 2.079 520 Q HA -0.220 3.702 4.340 -0.698 0.000 0.200 520 Q C 1.918 178.016 176.000 0.163 0.000 0.974 520 Q CA 1.770 57.716 55.803 0.238 0.000 0.840 520 Q CB -0.200 28.673 28.738 0.224 0.000 0.898 520 Q HN 0.522 nan 8.270 nan 0.000 0.430 521 Q N 0.225 120.110 119.800 0.141 0.000 2.083 521 Q HA -0.114 3.807 4.340 -0.698 0.000 0.198 521 Q C 2.163 178.237 176.000 0.124 0.000 0.969 521 Q CA 1.461 57.334 55.803 0.117 0.000 0.838 521 Q CB -0.317 28.493 28.738 0.119 0.000 0.900 521 Q HN 0.516 nan 8.270 nan 0.000 0.436 522 I N -1.341 119.294 120.570 0.108 0.000 2.830 522 I HA -0.123 3.628 4.170 -0.698 0.000 0.263 522 I C 2.179 178.436 176.117 0.234 0.000 1.230 522 I CA 1.252 62.646 61.300 0.156 0.000 1.480 522 I CB -0.328 37.729 38.000 0.096 0.000 1.095 522 I HN -0.006 nan 8.210 nan 0.000 0.455 523 R N 1.196 121.747 120.500 0.084 0.000 2.090 523 R HA -0.055 3.866 4.340 -0.698 0.000 0.219 523 R C 1.224 177.375 176.300 -0.248 0.000 1.100 523 R CA 1.381 57.234 56.100 -0.411 0.000 0.991 523 R CB -0.305 29.485 30.300 -0.849 0.000 0.893 523 R HN 0.292 nan 8.270 nan 0.000 0.443 524 D N -0.287 120.107 120.400 -0.010 0.000 2.317 524 D HA 0.003 4.224 4.640 -0.698 0.000 0.211 524 D C 1.045 177.499 176.300 0.256 0.000 0.966 524 D CA 1.107 55.194 54.000 0.144 0.000 0.876 524 D CB 0.067 40.934 40.800 0.111 0.000 0.927 524 D HN 0.468 nan 8.370 nan 0.000 0.519 525 G N -0.084 108.889 108.800 0.288 0.000 3.605 525 G HA2 0.054 3.596 3.960 -0.698 0.000 0.277 525 G HA3 0.054 3.596 3.960 -0.698 0.000 0.277 525 G C -0.446 174.835 174.900 0.635 0.000 1.093 525 G CA -0.321 45.022 45.100 0.404 0.000 0.821 525 G HN -0.029 nan 8.290 nan 0.000 0.532 526 D N -0.086 120.666 120.400 0.586 0.000 2.441 526 D HA 0.194 4.415 4.640 -0.698 0.000 0.231 526 D C 1.418 177.804 176.300 0.143 0.000 1.073 526 D CA -0.833 53.459 54.000 0.487 0.000 0.850 526 D CB 1.189 42.349 40.800 0.600 0.000 1.062 526 D HN 0.035 nan 8.370 nan 0.000 0.524 527 R N 2.656 123.005 120.500 -0.251 0.000 2.249 527 R HA -0.090 3.831 4.340 -0.698 0.000 0.230 527 R C 0.390 176.379 176.300 -0.517 0.000 1.121 527 R CA 1.305 56.892 56.100 -0.855 0.000 0.997 527 R CB -0.060 29.808 30.300 -0.721 0.000 0.867 527 R HN 0.387 nan 8.270 nan 0.000 0.465 528 F N -0.947 118.896 119.950 -0.179 0.000 2.639 528 F HA 0.167 4.276 4.527 -0.697 0.000 0.302 528 F C 0.316 176.164 175.800 0.080 0.000 1.097 528 F CA -0.995 56.956 58.000 -0.082 0.000 1.294 528 F CB -0.063 38.863 39.000 -0.123 0.000 1.027 528 F HN 0.081 nan 8.300 nan 0.000 0.550 529 W N 3.243 124.614 121.300 0.118 0.000 2.343 529 W HA -0.142 4.094 4.660 -0.707 0.000 0.337 529 W C 1.352 177.961 176.519 0.150 0.000 1.320 529 W CA -0.397 57.023 57.345 0.125 0.000 1.290 529 W CB 0.416 29.839 29.460 -0.061 0.000 1.206 529 W HN 0.528 nan 8.180 nan 0.000 0.565 530 W N 4.904 125.938 121.300 -0.443 0.000 2.313 530 W HA -0.245 3.997 4.660 -0.697 0.000 0.293 530 W C 0.913 177.478 176.519 0.077 0.000 1.216 530 W CA 1.704 59.030 57.345 -0.031 0.000 1.223 530 W CB -0.932 28.451 29.460 -0.128 0.000 1.138 530 W HN 0.485 nan 8.180 nan 0.000 0.535 531 E N 0.652 120.195 120.200 -1.094 0.000 2.371 531 E HA -0.133 3.799 4.350 -0.698 0.000 0.194 531 E C 0.408 177.024 176.600 0.026 0.000 1.012 531 E CA 0.009 55.964 56.400 -0.742 0.000 0.860 531 E CB -0.328 28.937 29.700 -0.725 0.000 0.811 531 E HN 0.077 nan 8.360 nan 0.000 0.502 532 N N 2.256 121.102 118.700 0.244 0.000 2.434 532 N HA -0.004 4.318 4.740 -0.698 0.000 0.268 532 N C -2.641 172.916 175.510 0.078 0.000 1.256 532 N CA -1.298 51.931 53.050 0.298 0.000 0.914 532 N CB 0.586 39.225 38.487 0.254 0.000 1.088 532 N HN -0.249 nan 8.380 nan 0.000 0.478 533 P HA 0.052 nan 4.420 nan 0.000 0.264 533 P C 0.783 178.054 177.300 -0.048 0.000 1.179 533 P CA 0.862 63.960 63.100 -0.003 0.000 0.763 533 P CB 0.510 32.203 31.700 -0.011 0.000 0.806 534 G N 0.671 109.434 108.800 -0.063 0.000 2.397 534 G HA2 -0.298 3.243 3.960 -0.698 0.000 0.211 534 G HA3 -0.298 3.243 3.960 -0.698 0.000 0.211 534 G C 1.043 175.839 174.900 -0.173 0.000 1.077 534 G CA 0.177 45.207 45.100 -0.117 0.000 0.649 534 G HN 0.372 nan 8.290 nan 0.000 0.511 535 V N 0.451 120.241 119.914 -0.207 0.000 2.261 535 V HA 0.231 3.933 4.120 -0.698 0.000 0.246 535 V C 1.336 177.163 176.094 -0.445 0.000 1.047 535 V CA 2.049 64.142 62.300 -0.345 0.000 1.015 535 V CB -0.494 31.146 31.823 -0.305 0.000 0.642 535 V HN 0.308 nan 8.190 nan 0.000 0.446 536 F N -0.270 119.695 119.950 0.025 0.000 2.532 536 F HA 0.481 4.588 4.527 -0.700 0.000 0.321 536 F C 0.668 176.442 175.800 -0.043 0.000 1.089 536 F CA -0.862 57.149 58.000 0.020 0.000 0.926 536 F CB 1.585 40.654 39.000 0.114 0.000 1.168 536 F HN -0.063 nan 8.300 nan 0.000 0.459 537 T N -1.705 112.905 114.554 0.094 0.000 2.898 537 T HA 0.109 4.040 4.350 -0.698 0.000 0.301 537 T C 1.091 175.799 174.700 0.013 0.000 1.049 537 T CA -0.392 61.709 62.100 0.003 0.000 1.095 537 T CB 1.344 70.172 68.868 -0.066 0.000 0.976 537 T HN 0.874 nan 8.240 nan 0.000 0.539 538 E N 1.676 121.881 120.200 0.008 0.000 2.108 538 E HA -0.295 3.636 4.350 -0.698 0.000 0.203 538 E C 1.874 178.482 176.600 0.012 0.000 1.022 538 E CA 1.739 58.150 56.400 0.018 0.000 0.823 538 E CB -0.117 29.589 29.700 0.010 0.000 0.744 538 E HN 0.698 nan 8.360 nan 0.000 0.456 539 K N -0.120 120.266 120.400 -0.023 0.000 2.057 539 K HA -0.174 3.727 4.320 -0.698 0.000 0.207 539 K C 2.415 178.975 176.600 -0.066 0.000 1.049 539 K CA 1.671 57.938 56.287 -0.033 0.000 0.931 539 K CB -0.166 32.303 32.500 -0.052 0.000 0.714 539 K HN 0.348 nan 8.250 nan 0.000 0.440 540 Q N 0.232 119.918 119.800 -0.189 0.000 2.124 540 Q HA -0.127 3.794 4.340 -0.698 0.000 0.202 540 Q C 2.085 178.060 176.000 -0.042 0.000 0.977 540 Q CA 1.266 56.843 55.803 -0.376 0.000 0.850 540 Q CB -0.031 28.312 28.738 -0.658 0.000 0.901 540 Q HN 0.235 nan 8.270 nan 0.000 0.429 541 R N 0.374 120.912 120.500 0.064 0.000 2.115 541 R HA -0.092 3.830 4.340 -0.698 0.000 0.226 541 R C 1.428 177.854 176.300 0.209 0.000 1.100 541 R CA 1.000 57.226 56.100 0.210 0.000 0.980 541 R CB 0.032 30.478 30.300 0.242 0.000 0.875 541 R HN 0.285 nan 8.270 nan 0.000 0.445 542 D N -0.060 120.419 120.400 0.132 0.000 2.263 542 D HA -0.068 4.154 4.640 -0.698 0.000 0.208 542 D C 1.428 177.797 176.300 0.116 0.000 0.971 542 D CA 1.169 55.241 54.000 0.119 0.000 0.867 542 D CB 0.176 41.025 40.800 0.082 0.000 0.929 542 D HN 0.116 nan 8.370 nan 0.000 0.492 543 S N -0.020 115.762 115.700 0.136 0.000 2.456 543 S HA 0.108 4.159 4.470 -0.698 0.000 0.224 543 S C 2.143 176.801 174.600 0.096 0.000 1.035 543 S CA -0.138 58.145 58.200 0.138 0.000 0.940 543 S CB 0.255 63.595 63.200 0.234 0.000 0.799 543 S HN 0.182 nan 8.310 nan 0.000 0.508 544 L N 1.445 122.723 121.223 0.093 0.000 2.275 544 L HA -0.066 3.855 4.340 -0.698 0.000 0.215 544 L C 2.483 179.284 176.870 -0.115 0.000 1.119 544 L CA 0.965 55.776 54.840 -0.049 0.000 0.790 544 L CB -0.387 41.582 42.059 -0.150 0.000 0.919 544 L HN 0.329 nan 8.230 nan 0.000 0.443 545 Q N -0.340 119.470 119.800 0.016 0.000 2.291 545 Q HA -0.189 3.732 4.340 -0.698 0.000 0.205 545 Q C 1.750 177.759 176.000 0.016 0.000 0.970 545 Q CA 1.066 56.892 55.803 0.039 0.000 0.876 545 Q CB 0.192 29.020 28.738 0.149 0.000 0.935 545 Q HN 0.197 nan 8.270 nan 0.000 0.455 546 K N -0.330 120.081 120.400 0.018 0.000 2.393 546 K HA 0.025 3.927 4.320 -0.698 0.000 0.193 546 K C 0.113 176.719 176.600 0.011 0.000 1.026 546 K CA -0.062 56.237 56.287 0.020 0.000 1.064 546 K CB 0.500 33.017 32.500 0.029 0.000 0.833 546 K HN 0.095 nan 8.250 nan 0.000 0.521 547 V N -0.451 119.465 119.914 0.002 0.000 3.139 547 V HA 0.303 4.004 4.120 -0.698 0.000 0.307 547 V C -0.007 176.113 176.094 0.043 0.000 1.095 547 V CA -0.571 61.764 62.300 0.058 0.000 1.160 547 V CB 1.187 33.102 31.823 0.153 0.000 1.003 547 V HN 0.218 nan 8.190 nan 0.000 0.489 548 S N 1.569 117.331 115.700 0.103 0.000 2.547 548 S HA 0.505 4.557 4.470 -0.698 0.000 0.270 548 S C -0.324 174.363 174.600 0.145 0.000 1.150 548 S CA -0.389 57.850 58.200 0.065 0.000 0.850 548 S CB 1.233 64.442 63.200 0.014 0.000 1.118 548 S HN 0.854 nan 8.310 nan 0.000 0.461 549 F N 2.333 122.240 119.950 -0.072 0.000 2.234 549 F HA -0.010 4.104 4.527 -0.689 0.000 0.299 549 F C 2.335 178.090 175.800 -0.076 0.000 1.087 549 F CA 1.908 59.876 58.000 -0.053 0.000 1.340 549 F CB -0.388 38.408 39.000 -0.339 0.000 1.031 549 F HN 0.658 nan 8.300 nan 0.000 0.500 550 S N 0.191 115.886 115.700 -0.007 0.000 2.370 550 S HA -0.253 3.798 4.470 -0.698 0.000 0.226 550 S C 1.971 176.496 174.600 -0.124 0.000 1.033 550 S CA 1.456 59.611 58.200 -0.075 0.000 1.011 550 S CB -0.401 62.748 63.200 -0.084 0.000 0.852 550 S HN 0.311 nan 8.310 nan 0.000 0.457 551 R N 1.413 121.854 120.500 -0.098 0.000 2.070 551 R HA 0.011 3.932 4.340 -0.698 0.000 0.233 551 R C 2.180 178.360 176.300 -0.200 0.000 1.137 551 R CA 1.215 57.246 56.100 -0.115 0.000 0.945 551 R CB -1.111 29.145 30.300 -0.075 0.000 0.845 551 R HN 0.352 nan 8.270 nan 0.000 0.430 552 L N 0.353 121.417 121.223 -0.265 0.000 2.085 552 L HA -0.254 3.667 4.340 -0.698 0.000 0.218 552 L C 2.020 178.641 176.870 -0.416 0.000 1.080 552 L CA 1.926 56.506 54.840 -0.433 0.000 0.776 552 L CB -0.324 41.364 42.059 -0.618 0.000 0.891 552 L HN 0.368 nan 8.230 nan 0.000 0.437 553 I N -2.200 118.123 120.570 -0.411 0.000 2.162 553 I HA -0.336 3.415 4.170 -0.698 0.000 0.238 553 I C 2.529 178.532 176.117 -0.191 0.000 1.076 553 I CA 1.306 62.434 61.300 -0.285 0.000 1.353 553 I CB -0.530 37.355 38.000 -0.192 0.000 1.063 553 I HN 0.365 nan 8.210 nan 0.000 0.408 554 c N 1.133 119.643 118.600 -0.149 0.000 2.376 554 c HA -0.240 3.912 4.570 -0.698 0.000 0.275 554 c C 2.322 176.332 174.090 -0.134 0.000 1.200 554 c CA 1.257 57.521 56.329 -0.109 0.000 1.756 554 c CB -1.101 41.359 42.510 -0.083 0.000 2.050 554 c HN 0.544 nan 8.230 nan 0.000 0.460 555 D N -0.044 120.261 120.400 -0.158 0.000 2.347 555 D HA -0.028 4.194 4.640 -0.698 0.000 0.215 555 D C 0.932 177.120 176.300 -0.187 0.000 0.976 555 D CA 0.841 54.745 54.000 -0.161 0.000 0.884 555 D CB -0.462 40.239 40.800 -0.165 0.000 0.915 555 D HN 0.549 nan 8.370 nan 0.000 0.526 556 N N 0.137 118.710 118.700 -0.212 0.000 2.351 556 N HA 0.049 4.371 4.740 -0.698 0.000 0.254 556 N C -0.009 175.361 175.510 -0.235 0.000 1.241 556 N CA 0.145 53.066 53.050 -0.216 0.000 0.883 556 N CB 1.517 39.878 38.487 -0.211 0.000 1.202 556 N HN 0.215 nan 8.380 nan 0.000 0.512 557 T N -3.711 110.674 114.554 -0.281 0.000 2.637 557 T HA 0.348 4.280 4.350 -0.698 0.000 0.303 557 T C -0.383 174.047 174.700 -0.450 0.000 1.288 557 T CA -0.413 61.502 62.100 -0.309 0.000 1.040 557 T CB 1.667 70.437 68.868 -0.164 0.000 1.644 557 T HN 0.070 nan 8.240 nan 0.000 0.480 558 H N -1.002 118.015 119.070 -0.088 0.000 2.567 558 H HA 0.529 4.667 4.556 -0.697 0.000 0.267 558 H C -0.441 174.831 175.328 -0.093 0.000 1.148 558 H CA -0.432 55.556 56.048 -0.100 0.000 1.031 558 H CB 0.070 29.740 29.762 -0.155 0.000 1.691 558 H HN 0.323 nan 8.280 nan 0.000 0.588 559 I N 0.882 121.451 120.570 -0.002 0.000 2.472 559 I HA 0.097 3.849 4.170 -0.698 0.000 0.290 559 I C 1.191 177.339 176.117 0.051 0.000 1.016 559 I CA 0.183 61.491 61.300 0.013 0.000 1.348 559 I CB 1.637 39.651 38.000 0.024 0.000 1.417 559 I HN 0.230 nan 8.210 nan 0.000 0.521 560 T N -0.090 114.522 114.554 0.097 0.000 3.041 560 T HA 0.287 4.219 4.350 -0.698 0.000 0.276 560 T C 0.409 175.202 174.700 0.155 0.000 0.948 560 T CA -0.359 61.800 62.100 0.097 0.000 0.885 560 T CB 0.254 69.169 68.868 0.078 0.000 1.175 560 T HN 0.245 nan 8.240 nan 0.000 0.529 561 K N 2.647 123.207 120.400 0.267 0.000 2.307 561 K HA 0.671 4.573 4.320 -0.698 0.000 0.263 561 K C -0.660 176.250 176.600 0.516 0.000 0.973 561 K CA -0.492 56.031 56.287 0.394 0.000 0.846 561 K CB 2.364 35.178 32.500 0.522 0.000 1.100 561 K HN 0.359 nan 8.250 nan 0.000 0.438 562 V N 0.132 120.228 119.914 0.304 0.000 3.049 562 V HA 0.676 4.378 4.120 -0.698 0.000 0.309 562 V C -2.762 173.142 176.094 -0.317 0.000 1.148 562 V CA -2.432 59.912 62.300 0.073 0.000 0.990 562 V CB 2.369 34.202 31.823 0.017 0.000 1.039 562 V HN 0.484 nan 8.190 nan 0.000 0.430 563 P HA 0.347 nan 4.420 nan 0.000 0.278 563 P C 0.128 177.217 177.300 -0.353 0.000 1.258 563 P CA -0.356 62.352 63.100 -0.653 0.000 0.811 563 P CB 1.880 33.128 31.700 -0.754 0.000 1.063 564 L N 0.637 121.655 121.223 -0.341 0.000 2.162 564 L HA 0.029 3.950 4.340 -0.698 0.000 0.205 564 L C 1.313 177.913 176.870 -0.451 0.000 1.086 564 L CA 1.653 56.248 54.840 -0.408 0.000 0.778 564 L CB -1.261 40.471 42.059 -0.546 0.000 0.928 564 L HN 0.418 nan 8.230 nan 0.000 0.446 565 H N -0.744 118.257 119.070 -0.115 0.000 2.486 565 H HA 0.407 4.543 4.556 -0.699 0.000 0.239 565 H C 1.218 176.471 175.328 -0.126 0.000 1.480 565 H CA 0.189 56.188 56.048 -0.083 0.000 1.324 565 H CB 0.492 30.228 29.762 -0.044 0.000 1.486 565 H HN 0.086 nan 8.280 nan 0.000 0.544 566 A N 1.267 124.011 122.820 -0.125 0.000 2.186 566 A HA -0.151 3.750 4.320 -0.698 0.000 0.219 566 A C 1.196 178.605 177.584 -0.291 0.000 1.159 566 A CA 1.023 52.914 52.037 -0.243 0.000 0.680 566 A CB -0.572 18.247 19.000 -0.302 0.000 0.787 566 A HN 0.331 nan 8.150 nan 0.000 0.467 567 F N -0.174 119.786 119.950 0.017 0.000 2.754 567 F HA 0.112 4.218 4.527 -0.703 0.000 0.297 567 F C 1.538 177.329 175.800 -0.015 0.000 1.122 567 F CA 0.399 58.420 58.000 0.034 0.000 1.400 567 F CB 0.062 39.097 39.000 0.059 0.000 1.117 567 F HN 0.455 nan 8.300 nan 0.000 0.587 568 Q N 0.658 120.520 119.800 0.103 0.000 2.204 568 Q HA 0.675 4.596 4.340 -0.698 0.000 0.254 568 Q C -0.377 175.635 176.000 0.020 0.000 0.981 568 Q CA -1.055 54.758 55.803 0.017 0.000 0.897 568 Q CB 1.749 30.479 28.738 -0.013 0.000 1.273 568 Q HN 0.036 nan 8.270 nan 0.000 0.464 569 A N 2.494 125.319 122.820 0.007 0.000 2.484 569 A HA 0.214 4.115 4.320 -0.698 0.000 0.268 569 A C -0.888 176.714 177.584 0.030 0.000 1.114 569 A CA -0.227 51.829 52.037 0.032 0.000 0.780 569 A CB -0.853 18.162 19.000 0.025 0.000 1.061 569 A HN 0.763 nan 8.150 nan 0.000 0.505 570 N N 2.353 121.087 118.700 0.056 0.000 2.314 570 N HA 0.418 4.739 4.740 -0.698 0.000 0.304 570 N C -0.772 174.864 175.510 0.211 0.000 1.073 570 N CA -0.768 52.321 53.050 0.064 0.000 0.822 570 N CB 1.269 39.704 38.487 -0.086 0.000 1.280 570 N HN 0.646 nan 8.380 nan 0.000 0.489 571 N N 0.434 119.257 118.700 0.204 0.000 2.477 571 N HA 0.285 4.606 4.740 -0.698 0.000 0.284 571 N C -1.474 174.213 175.510 0.294 0.000 1.182 571 N CA -0.346 52.832 53.050 0.214 0.000 0.949 571 N CB 1.191 39.735 38.487 0.094 0.000 1.204 571 N HN 0.495 nan 8.380 nan 0.000 0.526 572 Y N 1.649 121.924 120.300 -0.041 0.000 2.377 572 Y HA 0.433 4.564 4.550 -0.698 0.000 0.339 572 Y C -1.458 174.379 175.900 -0.106 0.000 1.011 572 Y CA -1.419 56.496 58.100 -0.309 0.000 1.093 572 Y CB 1.467 39.431 38.460 -0.826 0.000 1.201 572 Y HN 0.467 nan 8.280 nan 0.000 0.455 573 P HA -0.011 nan 4.420 nan 0.000 0.259 573 P C 1.139 178.259 177.300 -0.301 0.000 1.233 573 P CA 0.715 63.078 63.100 -1.229 0.000 0.827 573 P CB 0.214 31.102 31.700 -1.353 0.000 1.154 574 H N 2.208 121.156 119.070 -0.204 0.000 2.362 574 H HA -0.156 3.982 4.556 -0.698 0.000 0.294 574 H C 0.709 176.027 175.328 -0.018 0.000 1.113 574 H CA 2.038 58.037 56.048 -0.082 0.000 1.253 574 H CB -0.315 29.419 29.762 -0.046 0.000 1.363 574 H HN 0.087 nan 8.280 nan 0.000 0.494 575 D N -0.694 119.900 120.400 0.324 0.000 2.349 575 D HA -0.004 4.218 4.640 -0.698 0.000 0.215 575 D C 0.033 176.353 176.300 0.033 0.000 1.016 575 D CA 0.078 54.193 54.000 0.190 0.000 0.870 575 D CB -0.141 40.702 40.800 0.072 0.000 0.917 575 D HN 0.123 nan 8.370 nan 0.000 0.524 576 F N 0.772 120.679 119.950 -0.071 0.000 2.377 576 F HA 0.321 4.429 4.527 -0.699 0.000 0.328 576 F C 0.813 176.582 175.800 -0.052 0.000 1.094 576 F CA -1.120 56.846 58.000 -0.057 0.000 1.093 576 F CB 1.247 40.228 39.000 -0.030 0.000 1.214 576 F HN -0.317 nan 8.300 nan 0.000 0.518 577 V N -1.780 118.196 119.914 0.103 0.000 3.167 577 V HA 0.496 4.197 4.120 -0.698 0.000 0.310 577 V C -0.848 175.292 176.094 0.077 0.000 1.207 577 V CA -1.140 61.191 62.300 0.052 0.000 1.059 577 V CB 1.787 33.602 31.823 -0.014 0.000 1.079 577 V HN 0.669 nan 8.190 nan 0.000 0.446 578 D N -0.286 120.143 120.400 0.049 0.000 2.345 578 D HA 0.148 4.369 4.640 -0.698 0.000 0.247 578 D C 1.030 177.346 176.300 0.026 0.000 1.108 578 D CA 0.065 54.095 54.000 0.051 0.000 0.894 578 D CB 1.912 42.733 40.800 0.034 0.000 1.203 578 D HN 0.742 nan 8.370 nan 0.000 0.430 579 c N 1.781 120.399 118.600 0.029 0.000 2.398 579 c HA -0.189 3.963 4.570 -0.698 0.000 0.282 579 c C 2.714 176.797 174.090 -0.011 0.000 1.275 579 c CA 1.458 57.788 56.329 0.003 0.000 1.797 579 c CB -1.291 41.219 42.510 -0.000 0.000 1.991 579 c HN 0.729 nan 8.230 nan 0.000 0.505 580 S N 1.086 116.784 115.700 -0.004 0.000 2.440 580 S HA -0.090 3.962 4.470 -0.698 0.000 0.238 580 S C 1.733 176.324 174.600 -0.015 0.000 1.010 580 S CA 1.255 59.449 58.200 -0.009 0.000 0.972 580 S CB -0.387 62.811 63.200 -0.003 0.000 0.774 580 S HN 0.705 nan 8.310 nan 0.000 0.501 581 A N 0.731 123.540 122.820 -0.018 0.000 2.169 581 A HA 0.450 4.351 4.320 -0.698 0.000 0.212 581 A C 0.788 178.350 177.584 -0.037 0.000 1.153 581 A CA 0.014 52.035 52.037 -0.026 0.000 0.756 581 A CB -0.105 18.877 19.000 -0.030 0.000 0.813 581 A HN 0.366 nan 8.150 nan 0.000 0.471 582 V N 2.540 122.431 119.914 -0.040 0.000 2.406 582 V HA 0.148 3.850 4.120 -0.698 0.000 0.272 582 V C -0.869 175.203 176.094 -0.037 0.000 1.043 582 V CA -1.017 61.254 62.300 -0.048 0.000 0.915 582 V CB 0.893 32.682 31.823 -0.057 0.000 0.988 582 V HN 0.393 nan 8.190 nan 0.000 0.466 583 D N 4.709 125.092 120.400 -0.030 0.000 2.472 583 D HA 0.173 4.394 4.640 -0.698 0.000 0.237 583 D C 0.127 176.413 176.300 -0.023 0.000 1.141 583 D CA 0.332 54.322 54.000 -0.018 0.000 0.875 583 D CB 0.595 41.391 40.800 -0.006 0.000 1.192 583 D HN 0.467 nan 8.370 nan 0.000 0.450 584 K N 0.604 120.992 120.400 -0.021 0.000 2.095 584 K HA 0.427 4.329 4.320 -0.698 0.000 0.252 584 K C -0.303 176.284 176.600 -0.023 0.000 0.977 584 K CA -1.175 55.092 56.287 -0.033 0.000 0.900 584 K CB 1.240 33.717 32.500 -0.037 0.000 1.060 584 K HN 0.241 nan 8.250 nan 0.000 0.449 585 L N 2.416 123.613 121.223 -0.043 0.000 2.363 585 L HA 0.109 4.030 4.340 -0.698 0.000 0.286 585 L C -0.544 176.306 176.870 -0.033 0.000 1.106 585 L CA -0.069 54.747 54.840 -0.040 0.000 0.859 585 L CB -0.116 41.887 42.059 -0.092 0.000 1.223 585 L HN 0.434 nan 8.230 nan 0.000 0.446 586 D N 4.370 124.786 120.400 0.027 0.000 2.358 586 D HA 0.037 4.258 4.640 -0.698 0.000 0.258 586 D C 0.685 177.064 176.300 0.132 0.000 1.223 586 D CA 0.230 54.265 54.000 0.057 0.000 0.886 586 D CB 0.798 41.644 40.800 0.077 0.000 1.120 586 D HN 0.671 nan 8.370 nan 0.000 0.482 587 L N 3.054 124.322 121.223 0.075 0.000 2.592 587 L HA -0.026 3.896 4.340 -0.698 0.000 0.227 587 L C 2.356 179.425 176.870 0.331 0.000 1.127 587 L CA 0.045 54.982 54.840 0.161 0.000 0.884 587 L CB -0.279 41.710 42.059 -0.117 0.000 1.065 587 L HN 0.400 nan 8.230 nan 0.000 0.457 588 S N 0.703 116.525 115.700 0.203 0.000 2.381 588 S HA -0.176 3.876 4.470 -0.698 0.000 0.230 588 S C -0.420 174.296 174.600 0.193 0.000 1.052 588 S CA 1.283 59.573 58.200 0.150 0.000 1.068 588 S CB -1.968 61.288 63.200 0.093 0.000 0.918 588 S HN 0.242 nan 8.310 nan 0.000 0.448 589 P HA -0.100 nan 4.420 nan 0.000 0.219 589 P C 0.874 178.180 177.300 0.010 0.000 1.144 589 P CA 1.158 64.290 63.100 0.053 0.000 0.806 589 P CB -0.269 31.381 31.700 -0.083 0.000 0.771 590 W N -0.711 120.633 121.300 0.074 0.000 3.256 590 W HA 0.331 4.572 4.660 -0.698 0.000 0.269 590 W C 0.595 177.131 176.519 0.029 0.000 1.310 590 W CA -0.344 57.072 57.345 0.119 0.000 1.673 590 W CB -0.155 29.388 29.460 0.138 0.000 1.115 590 W HN -0.130 nan 8.180 nan 0.000 0.686 591 A N 1.420 124.334 122.820 0.158 0.000 2.524 591 A HA 0.209 4.111 4.320 -0.698 0.000 0.250 591 A C 0.261 177.880 177.584 0.059 0.000 1.078 591 A CA 0.619 52.676 52.037 0.033 0.000 0.761 591 A CB 0.295 19.314 19.000 0.033 0.000 1.012 591 A HN -0.019 nan 8.150 nan 0.000 0.500 592 S N 2.468 118.194 115.700 0.043 0.000 2.478 592 S HA 0.628 4.679 4.470 -0.698 0.000 0.312 592 S C -0.487 174.214 174.600 0.169 0.000 1.094 592 S CA -0.806 57.494 58.200 0.166 0.000 1.081 592 S CB 0.461 63.868 63.200 0.344 0.000 1.007 592 S HN 0.658 nan 8.310 nan 0.000 0.475 593 R N 3.092 123.661 120.500 0.115 0.000 2.445 593 R HA 0.401 4.322 4.340 -0.698 0.000 0.308 593 R C 0.799 177.125 176.300 0.043 0.000 0.961 593 R CA -0.744 55.386 56.100 0.048 0.000 0.862 593 R CB 1.232 31.545 30.300 0.022 0.000 1.144 593 R HN 0.716 nan 8.270 nan 0.000 0.447 594 E N 1.905 122.090 120.200 -0.026 0.000 1.983 594 E HA -0.145 3.786 4.350 -0.698 0.000 0.208 594 E C 0.347 176.952 176.600 0.009 0.000 1.006 594 E CA 1.197 57.586 56.400 -0.018 0.000 0.872 594 E CB -0.338 29.312 29.700 -0.083 0.000 0.806 594 E HN 0.520 nan 8.360 nan 0.000 0.510 595 N N 0.000 118.696 118.700 -0.006 0.000 1.763 595 N HA 0.000 4.321 4.740 -0.698 0.000 0.220 595 N CA 0.000 53.051 53.050 0.002 0.000 0.885 595 N CB 0.000 38.485 38.487 -0.004 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667